4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid

C16H22N2O3 — CID 124576176

IUPAC4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCC[C@H](C(=O)Nc2ccccc2)C1
InChIInChI=1S/C16H22N2O3/c19-15(20)9-5-11-18-10-4-6-13(12-18)16(21)17-14-7-2-1-3-8-14/h1-3,7-8,13H,4-6,9-12H2,(H,17,21)(H,19,20)/t13-/m0/s1
InChIKeyFHWZIUNAMDNANF-ZDUSSCGKSA-N
MW290.36 g/mol
LogP2.20
Rot. Bonds6

About 4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid

4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid (PubChem CID 124576176) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid
PubChem CID124576176
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCC[C@H](C(=O)Nc2ccccc2)C1
InChIInChI=1S/C16H22N2O3/c19-15(20)9-5-11-18-10-4-6-13(12-18)16(21)17-14-7-2-1-3-8-14/h1-3,7-8,13H,4-6,9-12H2,(H,17,21)(H,19,20)/t13-/m0/s1
InChIKeyFHWZIUNAMDNANF-ZDUSSCGKSA-N
XLogP2.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-morpholin-4-ylpropyl)-N-phenylpiperidine-3-carboxamide
CID 56798820
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
(3R)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidine-3-carboxamide
CID 25471392
1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide
CID 43918962
4-(3-phenylpiperidin-1-yl)butanoic acid
CID 156599277
1-[2-(4-cyanophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide
CID 42926355
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
1-[2-(3-fluorophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide
CID 46444102
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124590860
(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 93490714
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide
CID 24560730

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid?
The IUPAC name of 4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid (CID 124576176) is 4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid?
The canonical SMILES for 4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid is O=C(O)CCCN1CCC[C@H](C(=O)Nc2ccccc2)C1.
What is the InChIKey of 4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid?
The InChIKey is FHWZIUNAMDNANF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(20)9-5-11-18-10-4-6-13(12-18)16(21)17-14-7-2-1-3-8-14/h1-3,7-8,13H,4-6,9-12H2,(H,17,21)(H,19,20)/t13-/m0/s1.
What are the key properties of 4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid?
4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid is sourced from PubChem (CID 124576176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).