1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid

C14H18N2O3 — CID 28513181

IUPAC1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCN(C(=O)N1CCC(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-15(12-5-3-2-4-6-12)14(19)16-9-7-11(8-10-16)13(17)18/h2-6,11H,7-10H2,1H3,(H,17,18)
InChIKeyMZVMWLIOPXRKTE-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.04
Rot. Bonds2

About 1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid

1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 28513181) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID28513181
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCN(C(=O)N1CCC(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-15(12-5-3-2-4-6-12)14(19)16-9-7-11(8-10-16)13(17)18/h2-6,11H,7-10H2,1H3,(H,17,18)
InChIKeyMZVMWLIOPXRKTE-UHFFFAOYSA-N
XLogP2.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-phenylpiperidine-1-carboxamide
CID 54133936
N-methyl-N,4-diphenylpiperazine-1-carboxamide
CID 890140
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
1-[methyl-(2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032105
N,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 108990934
N-methyl-4-methylsulfinyl-N-phenylpiperazine-1-carboxamide
CID 169107036
2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 106745081
1-N-methyl-1-N-phenyl-4-N-[phenyl(thiophen-3-yl)methyl]piperidine-1,4-dicarboxamide
CID 126473143
4-methyl-N,N-diphenylpiperidine-1-carboxamide
CID 71122865
1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186495
4-[methyl(pyrrolidine-1-carbonyl)amino]benzoic acid
CID 104698233
1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 43570510

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid (CID 28513181) is 1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid is CN(C(=O)N1CCC(C(=O)O)CC1)c1ccccc1.
What is the InChIKey of 1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is MZVMWLIOPXRKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15(12-5-3-2-4-6-12)14(19)16-9-7-11(8-10-16)13(17)18/h2-6,11H,7-10H2,1H3,(H,17,18).
What are the key properties of 1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid?
1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 28513181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).