N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpiperidine-4-carboxamide

C16H23N3O2 — CID 74240515

IUPACN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CCNCC1
InChIInChI=1S/C16H23N3O2/c1-16(7-9-18-10-8-16)15(21)19-13(14(17)20)11-12-5-3-2-4-6-12/h2-6,13,18H,7-11H2,1H3,(H2,17,20)(H,19,21)/t13-/m0/s1
InChIKeyOBJROKAUPOTHBC-ZDUSSCGKSA-N
MW289.38 g/mol
LogP0.59
Rot. Bonds5

About N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpiperidine-4-carboxamide

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpiperidine-4-carboxamide (PubChem CID 74240515) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpiperidine-4-carboxamide
PubChem CID74240515
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CCNCC1
InChIInChI=1S/C16H23N3O2/c1-16(7-9-18-10-8-16)15(21)19-13(14(17)20)11-12-5-3-2-4-6-12/h2-6,13,18H,7-11H2,1H3,(H2,17,20)(H,19,21)/t13-/m0/s1
InChIKeyOBJROKAUPOTHBC-ZDUSSCGKSA-N
XLogP0.59
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2R)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 66791395
(2S)-2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-phenylbutanoic acid
CID 104983323
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63261449
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxamide
CID 63122933
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide
CID 71036532
ethyl 2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylate
CID 21308250
methyl (2R)-2-[(3,5-dimethyladamantane-1-carbonyl)amino]-3-phenylpropanoate
CID 164674090
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654
2-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-3-methylbutanoic acid
CID 150044333
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 15923651
(2R)-2-[(3,5-dimethyladamantane-1-carbonyl)amino]-3-phenylpropanoic acid
CID 164674091

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpiperidine-4-carboxamide (CID 74240515) is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpiperidine-4-carboxamide is CC1(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CCNCC1.
What is the InChIKey of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpiperidine-4-carboxamide?
The InChIKey is OBJROKAUPOTHBC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(7-9-18-10-8-16)15(21)19-13(14(17)20)11-12-5-3-2-4-6-12/h2-6,13,18H,7-11H2,1H3,(H2,17,20)(H,19,21)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpiperidine-4-carboxamide?
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpiperidine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 74240515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).