1-(3-phenylpentanoyl)piperidine-3-carboxylic acid

C17H23NO3 — CID 119167620

IUPAC1-(3-phenylpentanoyl)piperidine-3-carboxylic acid
SMILESCCC(CC(=O)N1CCCC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-2-13(14-7-4-3-5-8-14)11-16(19)18-10-6-9-15(12-18)17(20)21/h3-5,7-8,13,15H,2,6,9-12H2,1H3,(H,20,21)
InChIKeyQGNZIVJMJOKRHE-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.89
Rot. Bonds5

About 1-(3-phenylpentanoyl)piperidine-3-carboxylic acid

1-(3-phenylpentanoyl)piperidine-3-carboxylic acid (PubChem CID 119167620) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(3-phenylpentanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-phenylpentanoyl)piperidine-3-carboxylic acid
PubChem CID119167620
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name1-(3-phenylpentanoyl)piperidine-3-carboxylic acid
SMILESCCC(CC(=O)N1CCCC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-2-13(14-7-4-3-5-8-14)11-16(19)18-10-6-9-15(12-18)17(20)21/h3-5,7-8,13,15H,2,6,9-12H2,1H3,(H,20,21)
InChIKeyQGNZIVJMJOKRHE-UHFFFAOYSA-N
XLogP2.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-methoxyphenyl)pentanoyl]piperidine-3-carboxylic acid
CID 120684317
(3S)-1-(3,4-diphenylbutanoyl)piperidine-3-carboxylic acid
CID 119174340
(3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid
CID 81120276
(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid
CID 81119213
(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 81120555
(2R)-1-(3-phenylpentanoyl)pyrrolidine-2-carboxylic acid
CID 119372031
1-[3-(4-propan-2-ylphenyl)butanoyl]piperidine-3-carboxylic acid
CID 119167632
(3S)-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-3-carboxylic acid
CID 81125681
(3R)-1-[(3S)-3-acetamido-3-phenylpropanoyl]pyrrolidine-3-carboxylic acid
CID 124682101
(3R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-phenylpentan-1-one
CID 124859480
1-(3-aminopiperidin-1-yl)-3-(4-methylphenyl)pentan-1-one;hydrochloride
CID 119377565
1-[3-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one
CID 119488071

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpentanoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3-phenylpentanoyl)piperidine-3-carboxylic acid (CID 119167620) is 1-(3-phenylpentanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-phenylpentanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-phenylpentanoyl)piperidine-3-carboxylic acid is CCC(CC(=O)N1CCCC(C(=O)O)C1)c1ccccc1.
What is the InChIKey of 1-(3-phenylpentanoyl)piperidine-3-carboxylic acid?
The InChIKey is QGNZIVJMJOKRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-13(14-7-4-3-5-8-14)11-16(19)18-10-6-9-15(12-18)17(20)21/h3-5,7-8,13,15H,2,6,9-12H2,1H3,(H,20,21).
What are the key properties of 1-(3-phenylpentanoyl)piperidine-3-carboxylic acid?
1-(3-phenylpentanoyl)piperidine-3-carboxylic acid has a molecular weight of 289.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpentanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 119167620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).