1-[(2-chlorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid

C15H19ClN2O3 — CID 61416776

IUPAC1-[(2-chlorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCN(Cc1ccccc1Cl)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H19ClN2O3/c1-17(9-11-5-2-3-7-13(11)16)15(21)18-8-4-6-12(10-18)14(19)20/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,19,20)
InChIKeyXRDUHCJPYPIBTR-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.69
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid

1-[(2-chlorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 61416776) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID61416776
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-[(2-chlorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCN(Cc1ccccc1Cl)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H19ClN2O3/c1-17(9-11-5-2-3-7-13(11)16)15(21)18-8-4-6-12(10-18)14(19)20/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,19,20)
InChIKeyXRDUHCJPYPIBTR-UHFFFAOYSA-N
XLogP2.69
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide
CID 115578615
1-[benzyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030695
(3S)-1-[(4-fluorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81117692
(3R)-1-[furan-3-ylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120132
1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 79385471
(3R)-1-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120312
1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318507
(3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120822
(3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126254
1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 105419749
1-[(4-hydroxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 107736891
(3R)-1-[2-cyanoethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120881

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-chlorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid (CID 61416776) is 1-[(2-chlorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-chlorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid is CN(Cc1ccccc1Cl)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is XRDUHCJPYPIBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-17(9-11-5-2-3-7-13(11)16)15(21)18-8-4-6-12(10-18)14(19)20/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,19,20).
What are the key properties of 1-[(2-chlorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid?
1-[(2-chlorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 310.78 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 61416776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).