(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid

C16H21NO3 — CID 81119213

IUPAC(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid
SMILESCCC(C(=O)N1CCC[C@@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-2-14(12-7-4-3-5-8-12)15(18)17-10-6-9-13(11-17)16(19)20/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,19,20)/t13-,14?/m1/s1
InChIKeyYNGOJZHGHFULFW-KWCCSABGSA-N
MW275.35 g/mol
LogP2.50
Rot. Bonds4

About (3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid

(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid (PubChem CID 81119213) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid
PubChem CID81119213
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid
SMILESCCC(C(=O)N1CCC[C@@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-2-14(12-7-4-3-5-8-12)15(18)17-10-6-9-13(11-17)16(19)20/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,19,20)/t13-,14?/m1/s1
InChIKeyYNGOJZHGHFULFW-KWCCSABGSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid
CID 62877152
ethyl 1-(2-phenylbutanoyl)piperidine-3-carboxylate
CID 3273147
1-(3-phenylpentanoyl)piperidine-3-carboxylic acid
CID 119167620
(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 81120555
(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 120684525
1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylbutan-1-one;hydrochloride
CID 119595885
1-[3-(2-bromoethyl)piperidin-1-yl]-2-phenylbutan-1-one
CID 80669505
1-[3-(4-fluorophenyl)azepan-1-yl]-2-phenylbutan-1-one
CID 121130947
1-(azocan-1-yl)-2-phenylpentan-1-one
CID 55354834
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
1-[3-(bromomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one
CID 80667782
1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104592009

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid (CID 81119213) is (3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid is CCC(C(=O)N1CCC[C@@H](C(=O)O)C1)c1ccccc1.
What is the InChIKey of (3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid?
The InChIKey is YNGOJZHGHFULFW-KWCCSABGSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-14(12-7-4-3-5-8-12)15(18)17-10-6-9-13(11-17)16(19)20/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,19,20)/t13-,14?/m1/s1.
What are the key properties of (3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid?
(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81119213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).