(3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid

C15H17N3O3 — CID 81120278

IUPAC(3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCN(C(=O)N1CCC[C@@H](C(=O)O)C1)c1cccc(C#N)c1
InChIInChI=1S/C15H17N3O3/c1-17(13-6-2-4-11(8-13)9-16)15(21)18-7-3-5-12(10-18)14(19)20/h2,4,6,8,12H,3,5,7,10H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyPFSXFXINMMYPNW-GFCCVEGCSA-N
MW287.32 g/mol
LogP1.91
Rot. Bonds2

About (3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid

(3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 81120278) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID81120278
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCN(C(=O)N1CCC[C@@H](C(=O)O)C1)c1cccc(C#N)c1
InChIInChI=1S/C15H17N3O3/c1-17(13-6-2-4-11(8-13)9-16)15(21)18-7-3-5-12(10-18)14(19)20/h2,4,6,8,12H,3,5,7,10H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyPFSXFXINMMYPNW-GFCCVEGCSA-N
XLogP1.91
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-N-methylazepane-1-carboxamide
CID 79152194
1-[(4-hydroxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 107736891
N-(3-cyanophenyl)-N-methylcycloheptanecarboxamide
CID 62780707
(3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81121086
(3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120360
N,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 108990934
N-methyl-N-phenylpiperidine-1-carboxamide
CID 54133936
1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318507
N-(3-ethynylphenyl)-N-methyl-1-prop-2-enoylpiperidine-3-carboxamide
CID 166412944
1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid
CID 28513181
3-[(3-cyanophenyl)-methylcarbamoyl]benzoic acid
CID 62981166
N-(3-aminophenyl)-N-methylazepane-1-carboxamide
CID 79152179

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid (CID 81120278) is (3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid is CN(C(=O)N1CCC[C@@H](C(=O)O)C1)c1cccc(C#N)c1.
What is the InChIKey of (3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is PFSXFXINMMYPNW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-17(13-6-2-4-11(8-13)9-16)15(21)18-7-3-5-12(10-18)14(19)20/h2,4,6,8,12H,3,5,7,10H2,1H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81120278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).