4-[3-(5-phenylpentanoylamino)phenyl]piperidine-1-carboxylic acid

C23H28N2O3 — CID 68865260

IUPAC4-[3-(5-phenylpentanoylamino)phenyl]piperidine-1-carboxylic acid
SMILESO=C(CCCCc1ccccc1)Nc1cccc(C2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C23H28N2O3/c26-22(12-5-4-9-18-7-2-1-3-8-18)24-21-11-6-10-20(17-21)19-13-15-25(16-14-19)23(27)28/h1-3,6-8,10-11,17,19H,4-5,9,12-16H2,(H,24,26)(H,27,28)
InChIKeyXXVNARCAGJVKEL-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.90
Rot. Bonds7

About 4-[3-(5-phenylpentanoylamino)phenyl]piperidine-1-carboxylic acid

4-[3-(5-phenylpentanoylamino)phenyl]piperidine-1-carboxylic acid (PubChem CID 68865260) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-[3-(5-phenylpentanoylamino)phenyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(5-phenylpentanoylamino)phenyl]piperidine-1-carboxylic acid
PubChem CID68865260
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name4-[3-(5-phenylpentanoylamino)phenyl]piperidine-1-carboxylic acid
SMILESO=C(CCCCc1ccccc1)Nc1cccc(C2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C23H28N2O3/c26-22(12-5-4-9-18-7-2-1-3-8-18)24-21-11-6-10-20(17-21)19-13-15-25(16-14-19)23(27)28/h1-3,6-8,10-11,17,19H,4-5,9,12-16H2,(H,24,26)(H,27,28)
InChIKeyXXVNARCAGJVKEL-UHFFFAOYSA-N
XLogP4.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-phenoxyphenyl)-N-(3-piperidin-4-ylphenyl)pentanamide
CID 11475881
1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-5-phenylpentan-1-one
CID 23587223
tert-butyl 4-[3-(4-chlorobutanoylamino)phenyl]piperidine-1-carboxylate
CID 22049236
N-[3-[1-[(1S)-1-hydroxy-5-phenylpentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 91368577
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
3,5-dichloro-4-[[4-[4-(4-phenylbutanoylamino)phenyl]piperidine-1-carbonyl]amino]benzoic acid
CID 58258658
4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 141045958
4-(3-phenylphenyl)piperidine-1-carboxylic acid
CID 151080045
N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide
CID 17235933
5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
CID 17222888
(3R)-3-hydroxy-N-[3-(3-phenylpropyl)phenyl]pyrrolidine-1-carboxamide
CID 111431591
(Z)-but-2-enedioic acid;4-phenyl-1-(4-phenylbutyl)piperidine
CID 11682970

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-phenylpentanoylamino)phenyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-(5-phenylpentanoylamino)phenyl]piperidine-1-carboxylic acid (CID 68865260) is 4-[3-(5-phenylpentanoylamino)phenyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-(5-phenylpentanoylamino)phenyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-(5-phenylpentanoylamino)phenyl]piperidine-1-carboxylic acid is O=C(CCCCc1ccccc1)Nc1cccc(C2CCN(C(=O)O)CC2)c1.
What is the InChIKey of 4-[3-(5-phenylpentanoylamino)phenyl]piperidine-1-carboxylic acid?
The InChIKey is XXVNARCAGJVKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-22(12-5-4-9-18-7-2-1-3-8-18)24-21-11-6-10-20(17-21)19-13-15-25(16-14-19)23(27)28/h1-3,6-8,10-11,17,19H,4-5,9,12-16H2,(H,24,26)(H,27,28).
What are the key properties of 4-[3-(5-phenylpentanoylamino)phenyl]piperidine-1-carboxylic acid?
4-[3-(5-phenylpentanoylamino)phenyl]piperidine-1-carboxylic acid has a molecular weight of 380.49 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-phenylpentanoylamino)phenyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 68865260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).