1-acetyl-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-phenylpiperidine-4-carboxamide

C17H23N3O3 — CID 97310746

IUPAC1-acetyl-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N[C@H](C)C(N)=O)(c2ccccc2)CC1
InChIInChI=1S/C17H23N3O3/c1-12(15(18)22)19-16(23)17(14-6-4-3-5-7-14)8-10-20(11-9-17)13(2)21/h3-7,12H,8-11H2,1-2H3,(H2,18,22)(H,19,23)/t12-/m1/s1
InChIKeyYSXNODHCWXDEIL-GFCCVEGCSA-N
MW317.39 g/mol
LogP0.56
Rot. Bonds4

About 1-acetyl-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-phenylpiperidine-4-carboxamide

1-acetyl-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-phenylpiperidine-4-carboxamide (PubChem CID 97310746) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-acetyl-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-phenylpiperidine-4-carboxamide
PubChem CID97310746
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-acetyl-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N[C@H](C)C(N)=O)(c2ccccc2)CC1
InChIInChI=1S/C17H23N3O3/c1-12(15(18)22)19-16(23)17(14-6-4-3-5-7-14)8-10-20(11-9-17)13(2)21/h3-7,12H,8-11H2,1-2H3,(H2,18,22)(H,19,23)/t12-/m1/s1
InChIKeyYSXNODHCWXDEIL-GFCCVEGCSA-N
XLogP0.56
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide
CID 55368369
N-(1-amino-1-sulfanylidenepropan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 62881236
(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 54432657
1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide
CID 55368593
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
(3S)-4-amino-3-[[1-(2-aminoacetyl)-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid
CID 11696493
benzyl (2R)-2-[(4-phenyl-1-prop-2-enoylpiperidine-4-carbonyl)amino]propanoate
CID 166412679
1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide
CID 39889707
1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide
CID 75460001
1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 62639706
(3S)-3-[[1-[(2S)-2-acetamido-6-aminohexanoyl]-4-phenylpiperidine-4-carbonyl]amino]-4-amino-4-oxobutanoic acid
CID 11504098
[2-(2-methylpropylamino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526930

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-phenylpiperidine-4-carboxamide (CID 97310746) is 1-acetyl-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-phenylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N[C@H](C)C(N)=O)(c2ccccc2)CC1.
What is the InChIKey of 1-acetyl-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is YSXNODHCWXDEIL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(15(18)22)19-16(23)17(14-6-4-3-5-7-14)8-10-20(11-9-17)13(2)21/h3-7,12H,8-11H2,1-2H3,(H2,18,22)(H,19,23)/t12-/m1/s1.
What are the key properties of 1-acetyl-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-phenylpiperidine-4-carboxamide?
1-acetyl-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 97310746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).