3-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)amino]-1-(4-methoxyphenyl)piperidin-2-one

C22H26N2O4 — CID 166384385

IUPAC3-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)amino]-1-(4-methoxyphenyl)piperidin-2-one
SMILESCOc1ccc(N2CCCC(Nc3cccc4c3OCCC4OC)C2=O)cc1
InChIInChI=1S/C22H26N2O4/c1-26-16-10-8-15(9-11-16)24-13-4-7-19(22(24)25)23-18-6-3-5-17-20(27-2)12-14-28-21(17)18/h3,5-6,8-11,19-20,23H,4,7,12-14H2,1-2H3
InChIKeyHDJMJSXVCJTTJY-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.77
Rot. Bonds5

About 3-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)amino]-1-(4-methoxyphenyl)piperidin-2-one

3-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)amino]-1-(4-methoxyphenyl)piperidin-2-one (PubChem CID 166384385) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)amino]-1-(4-methoxyphenyl)piperidin-2-one.

Molecular Properties

Compound Name3-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)amino]-1-(4-methoxyphenyl)piperidin-2-one
PubChem CID166384385
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name3-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)amino]-1-(4-methoxyphenyl)piperidin-2-one
SMILESCOc1ccc(N2CCCC(Nc3cccc4c3OCCC4OC)C2=O)cc1
InChIInChI=1S/C22H26N2O4/c1-26-16-10-8-15(9-11-16)24-13-4-7-19(22(24)25)23-18-6-3-5-17-20(27-2)12-14-28-21(17)18/h3,5-6,8-11,19-20,23H,4,7,12-14H2,1-2H3
InChIKeyHDJMJSXVCJTTJY-UHFFFAOYSA-N
XLogP3.77
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)amino]-1-(4-methoxyphenyl)piperidin-2-one with MolForge

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Related Compounds

1-(3-methoxyphenyl)-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]piperidin-2-one
CID 133372898
3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one
CID 166437081
1-(4-methoxyphenyl)-3-[(3R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-oxopiperidin-3-yl]urea
CID 154971330
1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one
CID 122515859
4-[[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)amino]methyl]benzoic acid
CID 122033688
1-phenyl-3-(4-piperidin-1-ylanilino)piperidin-2-one
CID 139001524
N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropanesulfonamide
CID 91911271
1-(3-bromo-5-methoxyphenyl)-3-(cyclopropylamino)piperidin-2-one
CID 82859484
3-[(6-methoxy-2-pyridinyl)methylamino]-1-phenylpiperidin-2-one
CID 119133512
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
3-(2,3-dichloroanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 43844624
(3S)-3-(2,3-dichloroanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860130

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)amino]-1-(4-methoxyphenyl)piperidin-2-one?
The IUPAC name of 3-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)amino]-1-(4-methoxyphenyl)piperidin-2-one (CID 166384385) is 3-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)amino]-1-(4-methoxyphenyl)piperidin-2-one.
What is the SMILES notation for 3-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)amino]-1-(4-methoxyphenyl)piperidin-2-one?
The canonical SMILES for 3-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)amino]-1-(4-methoxyphenyl)piperidin-2-one is COc1ccc(N2CCCC(Nc3cccc4c3OCCC4OC)C2=O)cc1.
What is the InChIKey of 3-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)amino]-1-(4-methoxyphenyl)piperidin-2-one?
The InChIKey is HDJMJSXVCJTTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-26-16-10-8-15(9-11-16)24-13-4-7-19(22(24)25)23-18-6-3-5-17-20(27-2)12-14-28-21(17)18/h3,5-6,8-11,19-20,23H,4,7,12-14H2,1-2H3.
What are the key properties of 3-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)amino]-1-(4-methoxyphenyl)piperidin-2-one?
3-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)amino]-1-(4-methoxyphenyl)piperidin-2-one has a molecular weight of 382.46 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)amino]-1-(4-methoxyphenyl)piperidin-2-one is sourced from PubChem (CID 166384385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).