1-(1-anilino-1-oxo-3-phenylbutan-2-yl)piperidine-3-carboxylic acid

C22H26N2O3 — CID 57152690

IUPAC1-(1-anilino-1-oxo-3-phenylbutan-2-yl)piperidine-3-carboxylic acid
SMILESCC(c1ccccc1)C(C(=O)Nc1ccccc1)N1CCCC(C(=O)O)C1
InChIInChI=1S/C22H26N2O3/c1-16(17-9-4-2-5-10-17)20(21(25)23-19-12-6-3-7-13-19)24-14-8-11-18(15-24)22(26)27/h2-7,9-10,12-13,16,18,20H,8,11,14-15H2,1H3,(H,23,25)(H,26,27)
InChIKeyLUWGTMKQFDQATL-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.59
Rot. Bonds6

About 1-(1-anilino-1-oxo-3-phenylbutan-2-yl)piperidine-3-carboxylic acid

1-(1-anilino-1-oxo-3-phenylbutan-2-yl)piperidine-3-carboxylic acid (PubChem CID 57152690) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(1-anilino-1-oxo-3-phenylbutan-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-anilino-1-oxo-3-phenylbutan-2-yl)piperidine-3-carboxylic acid
PubChem CID57152690
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-(1-anilino-1-oxo-3-phenylbutan-2-yl)piperidine-3-carboxylic acid
SMILESCC(c1ccccc1)C(C(=O)Nc1ccccc1)N1CCCC(C(=O)O)C1
InChIInChI=1S/C22H26N2O3/c1-16(17-9-4-2-5-10-17)20(21(25)23-19-12-6-3-7-13-19)24-14-8-11-18(15-24)22(26)27/h2-7,9-10,12-13,16,18,20H,8,11,14-15H2,1H3,(H,23,25)(H,26,27)
InChIKeyLUWGTMKQFDQATL-UHFFFAOYSA-N
XLogP3.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1-phenylpropyl)piperidine-3-carboxylic acid
CID 65054275
(3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid
CID 129430805
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
(3S)-1-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxamide
CID 9304552
(3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51500739
1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride
CID 119907322
1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 17498457
1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid
CID 3536798
(3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51672985
tert-butyl (3S)-1-(1-phenylethyl)piperidine-3-carboxylate;(3S)-1-(1-phenylethyl)piperidine-3-carboxylic acid
CID 162050309
ethyl (3S)-1-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate
CID 51724183
(3S)-1-[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxamide
CID 9267870

Frequently Asked Questions

What is the IUPAC name of 1-(1-anilino-1-oxo-3-phenylbutan-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1-anilino-1-oxo-3-phenylbutan-2-yl)piperidine-3-carboxylic acid (CID 57152690) is 1-(1-anilino-1-oxo-3-phenylbutan-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-anilino-1-oxo-3-phenylbutan-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-anilino-1-oxo-3-phenylbutan-2-yl)piperidine-3-carboxylic acid is CC(c1ccccc1)C(C(=O)Nc1ccccc1)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(1-anilino-1-oxo-3-phenylbutan-2-yl)piperidine-3-carboxylic acid?
The InChIKey is LUWGTMKQFDQATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16(17-9-4-2-5-10-17)20(21(25)23-19-12-6-3-7-13-19)24-14-8-11-18(15-24)22(26)27/h2-7,9-10,12-13,16,18,20H,8,11,14-15H2,1H3,(H,23,25)(H,26,27).
What are the key properties of 1-(1-anilino-1-oxo-3-phenylbutan-2-yl)piperidine-3-carboxylic acid?
1-(1-anilino-1-oxo-3-phenylbutan-2-yl)piperidine-3-carboxylic acid has a molecular weight of 366.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-anilino-1-oxo-3-phenylbutan-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 57152690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).