1-butanoyl-4-phenylpiperidine-4-carboxylic acid

C16H21NO3 — CID 22240994

IUPAC1-butanoyl-4-phenylpiperidine-4-carboxylic acid
SMILESCCCC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C16H21NO3/c1-2-6-14(18)17-11-9-16(10-12-17,15(19)20)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,19,20)
InChIKeyABTGVJXASJMMQV-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.43
Rot. Bonds4

About 1-butanoyl-4-phenylpiperidine-4-carboxylic acid

1-butanoyl-4-phenylpiperidine-4-carboxylic acid (PubChem CID 22240994) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-butanoyl-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-butanoyl-4-phenylpiperidine-4-carboxylic acid
PubChem CID22240994
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-butanoyl-4-phenylpiperidine-4-carboxylic acid
SMILESCCCC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C16H21NO3/c1-2-6-14(18)17-11-9-16(10-12-17,15(19)20)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,19,20)
InChIKeyABTGVJXASJMMQV-UHFFFAOYSA-N
XLogP2.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 22241002
1-[5-oxo-5-(propylamino)pentanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168339
1-[5-(dimethylamino)-5-oxopentanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168522
1-[4-(4-methylphenyl)-4-oxobutanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168142
1-(2-butoxyacetyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168313
1-(1-hydroxy-4-phenylpiperidin-4-yl)butan-1-one
CID 91605385
1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45338210
N-[3-(4-butanoyl-4-phenylpiperidin-1-yl)-3-oxopropyl]-4-phenylbenzamide
CID 10005478
4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid
CID 120613659
1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 22240695
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
4-phenyl-1-[3-(1,3-thiazol-4-yl)propanoyl]piperidine-4-carboxylic acid
CID 84588728

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-butanoyl-4-phenylpiperidine-4-carboxylic acid (CID 22240994) is 1-butanoyl-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-butanoyl-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-butanoyl-4-phenylpiperidine-4-carboxylic acid is CCCC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-butanoyl-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is ABTGVJXASJMMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-6-14(18)17-11-9-16(10-12-17,15(19)20)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,19,20).
What are the key properties of 1-butanoyl-4-phenylpiperidine-4-carboxylic acid?
1-butanoyl-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 22240994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).