1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

C16H22ClN3O2 — CID 9443547

IUPAC1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H22ClN3O2/c1-10-13(17)4-3-5-14(10)19-16(22)11(2)20-8-6-12(7-9-20)15(18)21/h3-5,11-12H,6-9H2,1-2H3,(H2,18,21)(H,19,22)/t11-/m0/s1
InChIKeyZPVDEMJOAOEUNW-NSHDSACASA-N
MW323.82 g/mol
LogP2.17
Rot. Bonds4

About 1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 9443547) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID9443547
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H22ClN3O2/c1-10-13(17)4-3-5-14(10)19-16(22)11(2)20-8-6-12(7-9-20)15(18)21/h3-5,11-12H,6-9H2,1-2H3,(H2,18,21)(H,19,22)/t11-/m0/s1
InChIKeyZPVDEMJOAOEUNW-NSHDSACASA-N
XLogP2.17
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-benzyl-1-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25494160
N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 46563154
1-[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide
CID 9443539
(2R)-N-(3-chloro-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430806
2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide
CID 18094234
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 46630775
N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110880139
1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443697
(2S)-N-(3-chloro-2-methylphenyl)-2-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide
CID 100855978
1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 16781124
N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide
CID 86984159
3-[1-[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid
CID 122101242

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 9443547) is 1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide is Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is ZPVDEMJOAOEUNW-NSHDSACASA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-10-13(17)4-3-5-14(10)19-16(22)11(2)20-8-6-12(7-9-20)15(18)21/h3-5,11-12H,6-9H2,1-2H3,(H2,18,21)(H,19,22)/t11-/m0/s1.
What are the key properties of 1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 323.82 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 9443547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).