N-(3-chloro-4-methylphenyl)-3-[(2-oxopiperidin-3-yl)amino]butanamide

C16H22ClN3O2 — CID 75427835

IUPACN-(3-chloro-4-methylphenyl)-3-[(2-oxopiperidin-3-yl)amino]butanamide
SMILESCc1ccc(NC(=O)CC(C)NC2CCCNC2=O)cc1Cl
InChIInChI=1S/C16H22ClN3O2/c1-10-5-6-12(9-13(10)17)20-15(21)8-11(2)19-14-4-3-7-18-16(14)22/h5-6,9,11,14,19H,3-4,7-8H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyLFBMXAPLTSYGOI-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.23
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-3-[(2-oxopiperidin-3-yl)amino]butanamide

N-(3-chloro-4-methylphenyl)-3-[(2-oxopiperidin-3-yl)amino]butanamide (PubChem CID 75427835) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-[(2-oxopiperidin-3-yl)amino]butanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-[(2-oxopiperidin-3-yl)amino]butanamide
PubChem CID75427835
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-(3-chloro-4-methylphenyl)-3-[(2-oxopiperidin-3-yl)amino]butanamide
SMILESCc1ccc(NC(=O)CC(C)NC2CCCNC2=O)cc1Cl
InChIInChI=1S/C16H22ClN3O2/c1-10-5-6-12(9-13(10)17)20-15(21)8-11(2)19-14-4-3-7-18-16(14)22/h5-6,9,11,14,19H,3-4,7-8H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyLFBMXAPLTSYGOI-UHFFFAOYSA-N
XLogP2.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide
CID 60663237
N-(3-chloro-4-methylphenyl)-3-[(3-hydroxy-2-methylpropyl)amino]butanamide
CID 110905995
N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942043
N-(3-chlorophenyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide
CID 62092325
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
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2-[(2R,4aS,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-1-ium-2-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 7259252
2-[[4-(3-chloro-4-methylanilino)-4-oxobutan-2-yl]amino]pentanoic acid
CID 122039857
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 63255628
(2S)-2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194812
N-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide
CID 110682147
N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide
CID 108951589
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 2666329

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-[(2-oxopiperidin-3-yl)amino]butanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-[(2-oxopiperidin-3-yl)amino]butanamide (CID 75427835) is N-(3-chloro-4-methylphenyl)-3-[(2-oxopiperidin-3-yl)amino]butanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-[(2-oxopiperidin-3-yl)amino]butanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-[(2-oxopiperidin-3-yl)amino]butanamide is Cc1ccc(NC(=O)CC(C)NC2CCCNC2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-[(2-oxopiperidin-3-yl)amino]butanamide?
The InChIKey is LFBMXAPLTSYGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-10-5-6-12(9-13(10)17)20-15(21)8-11(2)19-14-4-3-7-18-16(14)22/h5-6,9,11,14,19H,3-4,7-8H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-[(2-oxopiperidin-3-yl)amino]butanamide?
N-(3-chloro-4-methylphenyl)-3-[(2-oxopiperidin-3-yl)amino]butanamide has a molecular weight of 323.82 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-[(2-oxopiperidin-3-yl)amino]butanamide is sourced from PubChem (CID 75427835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).