1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid

C15H20N2O3 — CID 61186390

IUPAC1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCN(Cc1ccccc1)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-16(11-12-7-3-2-4-8-12)15(20)17-10-6-5-9-13(17)14(18)19/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,18,19)
InChIKeyMTGWALUHSSDYNV-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.18
Rot. Bonds3

About 1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid

1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 61186390) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID61186390
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCN(Cc1ccccc1)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-16(11-12-7-3-2-4-8-12)15(20)17-10-6-5-9-13(17)14(18)19/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,18,19)
InChIKeyMTGWALUHSSDYNV-UHFFFAOYSA-N
XLogP2.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid
CID 61200560
1-[(3-chlorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid
CID 61416937
1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
CID 61185364
(2R)-1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922881
1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61413418
(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
1-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186053
(2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid
CID 59546398
1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186495
1-[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54986829
1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid
CID 64564499

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid (CID 61186390) is 1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid is CN(Cc1ccccc1)C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is MTGWALUHSSDYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-16(11-12-7-3-2-4-8-12)15(20)17-10-6-5-9-13(17)14(18)19/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,18,19).
What are the key properties of 1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid?
1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 61186390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).