(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid

C16H22N2O3 — CID 81120555

IUPAC(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCC(NC(=O)N1CCC[C@@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-2-14(12-7-4-3-5-8-12)17-16(21)18-10-6-9-13(11-18)15(19)20/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,17,21)(H,19,20)/t13-,14?/m1/s1
InChIKeyXMUTXOSWJSUOCA-KWCCSABGSA-N
MW290.36 g/mol
LogP2.64
Rot. Bonds4

About (3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid

(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 81120555) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID81120555
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCC(NC(=O)N1CCC[C@@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-2-14(12-7-4-3-5-8-12)17-16(21)18-10-6-9-13(11-18)15(19)20/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,17,21)(H,19,20)/t13-,14?/m1/s1
InChIKeyXMUTXOSWJSUOCA-KWCCSABGSA-N
XLogP2.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 122122525
(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid
CID 81119213
1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122014818
1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122003412
1-(3-phenylpentanoyl)piperidine-3-carboxylic acid
CID 119167620
(3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
CID 99970401
1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104592009
(3S)-1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104591978
(3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125361
N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide
CID 112729485
(3S)-1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylcarbamoyl]piperidine-3-carboxylic acid
CID 154786571
(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide
CID 14641518

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid (CID 81120555) is (3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid is CCC(NC(=O)N1CCC[C@@H](C(=O)O)C1)c1ccccc1.
What is the InChIKey of (3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is XMUTXOSWJSUOCA-KWCCSABGSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-14(12-7-4-3-5-8-12)17-16(21)18-10-6-9-13(11-18)15(19)20/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,17,21)(H,19,20)/t13-,14?/m1/s1.
What are the key properties of (3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid?
(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81120555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).