5-(5-tert-butyl-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one;5-(4-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(morpholin-4-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-(3-phenoxyanilino)piperidin-2-one;6-methylidene-5-(4-phenoxyanilino)piperidin-2-one;6-methylidene-5-(3-propoxyanilino)piperidin-2-one

C112H134F3N15O13 — CID 158508455

IUPAC5-(5-tert-butyl-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one;5-(4-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(morpholin-4-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-(3-phenoxyanilino)piperidin-2-one;6-methylidene-5-(4-phenoxyanilino)piperidin-2-one;6-methylidene-5-(3-propoxyanilino)piperidin-2-one
SMILESC=C1NC(=O)CCC1Nc1cc(C(C)(C)C)ccc1OC.C=C1NC(=O)CCC1Nc1cc(OC)cc(C(F)(F)F)c1.C=C1NC(=O)CCC1Nc1ccc(C)cc1.C=C1NC(=O)CCC1Nc1ccc(CN2CCOCC2)cc1.C=C1NC(=O)CCC1Nc1ccc(Oc2ccccc2)cc1.C=C1NC(=O)CCC1Nc1cccc(OCCC)c1.C=C1NC(=O)CCC1Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/2C18H18N2O2.C17H23N3O2.C17H24N2O2.C15H20N2O2.C14H15F3N2O2.C13H16N2O/c1-13-17(10-11-18(21)19-13)20-14-6-5-9-16(12-14)22-15-7-3-2-4-8-15;1-13-17(11-12-18(21)19-13)20-14-7-9-16(10-8-14)22-15-5-3-2-4-6-15;1-13-16(6-7-17(21)18-13)19-15-4-2-14(3-5-15)12-20-8-10-22-11-9-20;1-11-13(7-9-16(20)18-11)19-14-10-12(17(2,3)4)6-8-15(14)21-5;1-3-9-19-13-6-4-5-12(10-13)17-14-7-8-15(18)16-11(14)2;1-8-12(3-4-13(20)18-8)19-10-5-9(14(15,16)17)6-11(7-10)21-2;1-9-3-5-11(6-4-9)15-12-7-8-13(16)14-10(12)2/h2-9,12,17,20H,1,10-11H2,(H,19,21);2-10,17,20H,1,11-12H2,(H,19,21);2-5,16,19H,1,6-12H2,(H,18,21);6,8,10,13,19H,1,7,9H2,2-5H3,(H,18,20);4-6,10,14,17H,2-3,7-9H2,1H3,(H,16,18);5-7,12,19H,1,3-4H2,2H3,(H,18,20);3-6,12,15H,2,7-8H2,1H3,(H,14,16)
InChIKeyHKTFKJYSWSUIPE-UHFFFAOYSA-N
MW1955.39 g/mol
LogP20.08
Rot. Bonds25

About 5-(5-tert-butyl-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one;5-(4-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(morpholin-4-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-(3-phenoxyanilino)piperidin-2-one;6-methylidene-5-(4-phenoxyanilino)piperidin-2-one;6-methylidene-5-(3-propoxyanilino)piperidin-2-one

5-(5-tert-butyl-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one;5-(4-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(morpholin-4-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-(3-phenoxyanilino)piperidin-2-one;6-methylidene-5-(4-phenoxyanilino)piperidin-2-one;6-methylidene-5-(3-propoxyanilino)piperidin-2-one (PubChem CID 158508455) has the molecular formula C112H134F3N15O13 and a molecular weight of 1955.39 g/mol. Its IUPAC name is 5-(5-tert-butyl-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one;5-(4-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(morpholin-4-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-(3-phenoxyanilino)piperidin-2-one;6-methylidene-5-(4-phenoxyanilino)piperidin-2-one;6-methylidene-5-(3-propoxyanilino)piperidin-2-one.

Molecular Properties

Compound Name5-(5-tert-butyl-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one;5-(4-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(morpholin-4-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-(3-phenoxyanilino)piperidin-2-one;6-methylidene-5-(4-phenoxyanilino)piperidin-2-one;6-methylidene-5-(3-propoxyanilino)piperidin-2-one
PubChem CID158508455
Molecular FormulaC112H134F3N15O13
Molecular Weight1955.39 g/mol
Exact Mass1954.02
IUPAC Name5-(5-tert-butyl-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one;5-(4-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(morpholin-4-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-(3-phenoxyanilino)piperidin-2-one;6-methylidene-5-(4-phenoxyanilino)piperidin-2-one;6-methylidene-5-(3-propoxyanilino)piperidin-2-one
SMILESC=C1NC(=O)CCC1Nc1cc(C(C)(C)C)ccc1OC.C=C1NC(=O)CCC1Nc1cc(OC)cc(C(F)(F)F)c1.C=C1NC(=O)CCC1Nc1ccc(C)cc1.C=C1NC(=O)CCC1Nc1ccc(CN2CCOCC2)cc1.C=C1NC(=O)CCC1Nc1ccc(Oc2ccccc2)cc1.C=C1NC(=O)CCC1Nc1cccc(OCCC)c1.C=C1NC(=O)CCC1Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/2C18H18N2O2.C17H23N3O2.C17H24N2O2.C15H20N2O2.C14H15F3N2O2.C13H16N2O/c1-13-17(10-11-18(21)19-13)20-14-6-5-9-16(12-14)22-15-7-3-2-4-8-15;1-13-17(11-12-18(21)19-13)20-14-7-9-16(10-8-14)22-15-5-3-2-4-6-15;1-13-16(6-7-17(21)18-13)19-15-4-2-14(3-5-15)12-20-8-10-22-11-9-20;1-11-13(7-9-16(20)18-11)19-14-10-12(17(2,3)4)6-8-15(14)21-5;1-3-9-19-13-6-4-5-12(10-13)17-14-7-8-15(18)16-11(14)2;1-8-12(3-4-13(20)18-8)19-10-5-9(14(15,16)17)6-11(7-10)21-2;1-9-3-5-11(6-4-9)15-12-7-8-13(16)14-10(12)2/h2-9,12,17,20H,1,10-11H2,(H,19,21);2-10,17,20H,1,11-12H2,(H,19,21);2-5,16,19H,1,6-12H2,(H,18,21);6,8,10,13,19H,1,7,9H2,2-5H3,(H,18,20);4-6,10,14,17H,2-3,7-9H2,1H3,(H,16,18);5-7,12,19H,1,3-4H2,2H3,(H,18,20);3-6,12,15H,2,7-8H2,1H3,(H,14,16)
InChIKeyHKTFKJYSWSUIPE-UHFFFAOYSA-N
XLogP20.08
TPSA346.53 Ų
H-Bond Donors14
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001955.39
LogP ≤ 520.08
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1021

Analyze 5-(5-tert-butyl-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one;5-(4-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(morpholin-4-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-(3-phenoxyanilino)piperidin-2-one;6-methylidene-5-(4-phenoxyanilino)piperidin-2-one;6-methylidene-5-(3-propoxyanilino)piperidin-2-one with MolForge

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Related Compounds

4-[4-(4-Tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propane-1,3-dione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butan-1-one;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one
CID 158531766
5-(3-Fluoroanilino)-6-methylidenepiperidin-2-one;5-(4-fluoroanilino)-6-methylidenepiperidin-2-one;5-(2-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(4-fluoro-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-methoxyanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-(3-morpholin-4-ylanilino)piperidin-2-one;2-methyl-5-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile
CID 157383592
N-[4-[[(3S)-4-[2-(1-acetylpiperidin-4-yl)acetyl]-3-tert-butylpiperazin-1-yl]-phenylmethyl]phenyl]-2,2-dimethylpropanamide;bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(difluoromethoxy)-3-ethoxyphenyl]-phenylmethyl]piperazin-1-yl]ethanone);2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-ethoxyphenyl)-phenylmethyl]piperazin-1-yl]ethanone
CID 157812025
6-ethoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;7-methoxy-1-methyl-6-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1,3,3-trimethyl-5-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]indol-2-one
CID 158101988
N-[4-[2-(dimethylamino)ethyl]-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[2-methyl-3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]pentanamide;4-(4-methylphenoxy)-N-[4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;N-[3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]pentanamide
CID 158177733
N-(4-benzyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-[4-[2-(dimethylamino)ethyl]-3-oxo-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]pentanamide;N-[2-methyl-3-oxo-4-(2-phenylethyl)-1,4-benzoxazin-7-yl]pentanamide;N-(2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;4-(4-methylphenoxy)-N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;4-(4-methylphenoxy)-N-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)butanamide
CID 158370057
1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;bis(5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one);3-(3-tert-butylphenyl)oxolane
CID 159989372

Frequently Asked Questions

What is the IUPAC name of 5-(5-tert-butyl-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one;5-(4-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(morpholin-4-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-(3-phenoxyanilino)piperidin-2-one;6-methylidene-5-(4-phenoxyanilino)piperidin-2-one;6-methylidene-5-(3-propoxyanilino)piperidin-2-one?
The IUPAC name of 5-(5-tert-butyl-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one;5-(4-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(morpholin-4-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-(3-phenoxyanilino)piperidin-2-one;6-methylidene-5-(4-phenoxyanilino)piperidin-2-one;6-methylidene-5-(3-propoxyanilino)piperidin-2-one (CID 158508455) is 5-(5-tert-butyl-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one;5-(4-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(morpholin-4-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-(3-phenoxyanilino)piperidin-2-one;6-methylidene-5-(4-phenoxyanilino)piperidin-2-one;6-methylidene-5-(3-propoxyanilino)piperidin-2-one.
What is the SMILES notation for 5-(5-tert-butyl-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one;5-(4-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(morpholin-4-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-(3-phenoxyanilino)piperidin-2-one;6-methylidene-5-(4-phenoxyanilino)piperidin-2-one;6-methylidene-5-(3-propoxyanilino)piperidin-2-one?
The canonical SMILES for 5-(5-tert-butyl-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one;5-(4-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(morpholin-4-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-(3-phenoxyanilino)piperidin-2-one;6-methylidene-5-(4-phenoxyanilino)piperidin-2-one;6-methylidene-5-(3-propoxyanilino)piperidin-2-one is C=C1NC(=O)CCC1Nc1cc(C(C)(C)C)ccc1OC.C=C1NC(=O)CCC1Nc1cc(OC)cc(C(F)(F)F)c1.C=C1NC(=O)CCC1Nc1ccc(C)cc1.C=C1NC(=O)CCC1Nc1ccc(CN2CCOCC2)cc1.C=C1NC(=O)CCC1Nc1ccc(Oc2ccccc2)cc1.C=C1NC(=O)CCC1Nc1cccc(OCCC)c1.C=C1NC(=O)CCC1Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 5-(5-tert-butyl-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one;5-(4-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(morpholin-4-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-(3-phenoxyanilino)piperidin-2-one;6-methylidene-5-(4-phenoxyanilino)piperidin-2-one;6-methylidene-5-(3-propoxyanilino)piperidin-2-one?
The InChIKey is HKTFKJYSWSUIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H18N2O2.C17H23N3O2.C17H24N2O2.C15H20N2O2.C14H15F3N2O2.C13H16N2O/c1-13-17(10-11-18(21)19-13)20-14-6-5-9-16(12-14)22-15-7-3-2-4-8-15;1-13-17(11-12-18(21)19-13)20-14-7-9-16(10-8-14)22-15-5-3-2-4-6-15;1-13-16(6-7-17(21)18-13)19-15-4-2-14(3-5-15)12-20-8-10-22-11-9-20;1-11-13(7-9-16(20)18-11)19-14-10-12(17(2,3)4)6-8-15(14)21-5;1-3-9-19-13-6-4-5-12(10-13)17-14-7-8-15(18)16-11(14)2;1-8-12(3-4-13(20)18-8)19-10-5-9(14(15,16)17)6-11(7-10)21-2;1-9-3-5-11(6-4-9)15-12-7-8-13(16)14-10(12)2/h2-9,12,17,20H,1,10-11H2,(H,19,21);2-10,17,20H,1,11-12H2,(H,19,21);2-5,16,19H,1,6-12H2,(H,18,21);6,8,10,13,19H,1,7,9H2,2-5H3,(H,18,20);4-6,10,14,17H,2-3,7-9H2,1H3,(H,16,18);5-7,12,19H,1,3-4H2,2H3,(H,18,20);3-6,12,15H,2,7-8H2,1H3,(H,14,16).
What are the key properties of 5-(5-tert-butyl-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one;5-(4-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(morpholin-4-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-(3-phenoxyanilino)piperidin-2-one;6-methylidene-5-(4-phenoxyanilino)piperidin-2-one;6-methylidene-5-(3-propoxyanilino)piperidin-2-one?
5-(5-tert-butyl-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one;5-(4-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(morpholin-4-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-(3-phenoxyanilino)piperidin-2-one;6-methylidene-5-(4-phenoxyanilino)piperidin-2-one;6-methylidene-5-(3-propoxyanilino)piperidin-2-one has a molecular weight of 1955.39 g/mol, XLogP of 20.08, 25 rotatable bonds, 14 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-tert-butyl-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one;5-(4-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(morpholin-4-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-(3-phenoxyanilino)piperidin-2-one;6-methylidene-5-(4-phenoxyanilino)piperidin-2-one;6-methylidene-5-(3-propoxyanilino)piperidin-2-one is sourced from PubChem (CID 158508455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).