2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid

C21H24N2O3 — CID 119197415

IUPAC2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24N2O3/c24-20(22-19(21(25)26)17-9-5-2-6-10-17)18-11-13-23(14-12-18)15-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H,22,24)(H,25,26)
InChIKeyZDSDBBXCEQTDKV-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.84
Rot. Bonds6

About 2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid

2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid (PubChem CID 119197415) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid
PubChem CID119197415
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24N2O3/c24-20(22-19(21(25)26)17-9-5-2-6-10-17)18-11-13-23(14-12-18)15-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H,22,24)(H,25,26)
InChIKeyZDSDBBXCEQTDKV-UHFFFAOYSA-N
XLogP2.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-benzylpiperidine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219104
(2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
CID 119367273
N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45016872
3-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylpropanoic acid
CID 119254948
(2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119367932
(2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119372610
1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102
(2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid
CID 119367985
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 1343521
1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 47072278

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid (CID 119197415) is 2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid is O=C(NC(C(=O)O)c1ccccc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is ZDSDBBXCEQTDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-20(22-19(21(25)26)17-9-5-2-6-10-17)18-11-13-23(14-12-18)15-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H,22,24)(H,25,26).
What are the key properties of 2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid?
2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 352.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 119197415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).