(2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide

C16H23N3O2 — CID 40987983

IUPAC(2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
SMILESCc1ccccc1CNC(=O)CN1CCCC[C@H]1C(N)=O
InChIInChI=1S/C16H23N3O2/c1-12-6-2-3-7-13(12)10-18-15(20)11-19-9-5-4-8-14(19)16(17)21/h2-3,6-7,14H,4-5,8-11H2,1H3,(H2,17,21)(H,18,20)/t14-/m0/s1
InChIKeyROARIYYVCAIRIH-AWEZNQCLSA-N
MW289.38 g/mol
LogP0.95
Rot. Bonds5

About (2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide

(2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide (PubChem CID 40987983) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
PubChem CID40987983
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
SMILESCc1ccccc1CNC(=O)CN1CCCC[C@H]1C(N)=O
InChIInChI=1S/C16H23N3O2/c1-12-6-2-3-7-13(12)10-18-15(20)11-19-9-5-4-8-14(19)16(17)21/h2-3,6-7,14H,4-5,8-11H2,1H3,(H2,17,21)(H,18,20)/t14-/m0/s1
InChIKeyROARIYYVCAIRIH-AWEZNQCLSA-N
XLogP0.95
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
CID 17428154
(2R)-1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 95625732
1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441794
1-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
CID 60501946
1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904532
2-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 60503183
(2R)-1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidine-2-carboxamide
CID 41075375
(2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 41096237
1-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]piperidine-2-carboxamide
CID 42914018
(2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide
CID 41292691
N-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30738049
1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone
CID 63846016

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide (CID 40987983) is (2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide is Cc1ccccc1CNC(=O)CN1CCCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide?
The InChIKey is ROARIYYVCAIRIH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-6-2-3-7-13(12)10-18-15(20)11-19-9-5-4-8-14(19)16(17)21/h2-3,6-7,14H,4-5,8-11H2,1H3,(H2,17,21)(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide?
(2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide is sourced from PubChem (CID 40987983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).