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

C15H19ClN2O3 — CID 61416937

IUPAC1-[(3-chlorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCN(Cc1cccc(Cl)c1)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C15H19ClN2O3/c1-17(10-11-5-4-6-12(16)9-11)15(21)18-8-3-2-7-13(18)14(19)20/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,19,20)
InChIKeyAAEZZJLDKYNYLK-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.83
Rot. Bonds3

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

1-[(3-chlorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid (PubChem CID 61416937) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid
PubChem CID61416937
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-[(3-chlorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCN(Cc1cccc(Cl)c1)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C15H19ClN2O3/c1-17(10-11-5-4-6-12(16)9-11)15(21)18-8-3-2-7-13(18)14(19)20/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,19,20)
InChIKeyAAEZZJLDKYNYLK-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid
CID 61186390
1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid
CID 61200560
(2R)-1-[(4-chlorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922929
(2R)-1-[methyl(pyridin-3-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922741
(2R)-1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922881
1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61413418
1-[(3-chlorophenyl)methyl]azocane-2-carboxylic acid
CID 114239898
(2R)-1-[1-(3-chlorophenyl)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923305
1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
CID 61185364
1-[(3-chlorophenyl)methylsulfonyl]piperidine-2-carboxylic acid
CID 122070195
1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720767
1-[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54986829

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(3-chlorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid (CID 61416937) is 1-[(3-chlorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-chlorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid is CN(Cc1cccc(Cl)c1)C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[(3-chlorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid?
The InChIKey is AAEZZJLDKYNYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-17(10-11-5-4-6-12(16)9-11)15(21)18-8-3-2-7-13(18)14(19)20/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,19,20).
What are the key properties of 1-[(3-chlorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid?
1-[(3-chlorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid has a molecular weight of 310.78 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 61416937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).