(2S)-2-anilino-4-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one

C20H32N2O — CID 166782041

IUPAC(2S)-2-anilino-4-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
SMILESCC(C)C[C@H](Nc1ccccc1)C(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C20H32N2O/c1-15(2)14-19(21-18-8-6-5-7-9-18)20(23)22-12-10-17(11-13-22)16(3)4/h5-9,15-17,19,21H,10-14H2,1-4H3/t19-/m0/s1
InChIKeyGMTAWVGOAQAIAF-IBGZPJMESA-N
MW316.49 g/mol
LogP4.41
Rot. Bonds6

About (2S)-2-anilino-4-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one

(2S)-2-anilino-4-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one (PubChem CID 166782041) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is (2S)-2-anilino-4-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name(2S)-2-anilino-4-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
PubChem CID166782041
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name(2S)-2-anilino-4-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
SMILESCC(C)C[C@H](Nc1ccccc1)C(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C20H32N2O/c1-15(2)14-19(21-18-8-6-5-7-9-18)20(23)22-12-10-17(11-13-22)16(3)4/h5-9,15-17,19,21H,10-14H2,1-4H3/t19-/m0/s1
InChIKeyGMTAWVGOAQAIAF-IBGZPJMESA-N
XLogP4.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103812443
2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 82044614
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide
CID 110351358
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-methylpentan-1-one
CID 110909501
2-(4-methylanilino)-4,4-diphenyl-1-pyrrolidin-1-ylbutan-1-one
CID 171784700
[1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea
CID 106837135
(1-anilinocyclopentyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 166781988
N-[4-methyl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]benzamide
CID 44756255
(2S)-1-benzoyl-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 139809503
N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide
CID 110351597
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenoxyacetamide
CID 110351364
4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120516103

Frequently Asked Questions

What is the IUPAC name of (2S)-2-anilino-4-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one?
The IUPAC name of (2S)-2-anilino-4-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one (CID 166782041) is (2S)-2-anilino-4-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one.
What is the SMILES notation for (2S)-2-anilino-4-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one?
The canonical SMILES for (2S)-2-anilino-4-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one is CC(C)C[C@H](Nc1ccccc1)C(=O)N1CCC(C(C)C)CC1.
What is the InChIKey of (2S)-2-anilino-4-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one?
The InChIKey is GMTAWVGOAQAIAF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H32N2O/c1-15(2)14-19(21-18-8-6-5-7-9-18)20(23)22-12-10-17(11-13-22)16(3)4/h5-9,15-17,19,21H,10-14H2,1-4H3/t19-/m0/s1.
What are the key properties of (2S)-2-anilino-4-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one?
(2S)-2-anilino-4-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one has a molecular weight of 316.49 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-anilino-4-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 166782041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).