1-[(2-carbamoylphenyl)methyl]-3-methylpiperidine-2-carboxylic acid

C15H20N2O3 — CID 107072129

IUPAC1-[(2-carbamoylphenyl)methyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(Cc2ccccc2C(N)=O)C1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-10-5-4-8-17(13(10)15(19)20)9-11-6-2-3-7-12(11)14(16)18/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H2,16,18)(H,19,20)
InChIKeyZWXYFXNTICMQCW-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.47
Rot. Bonds4

About 1-[(2-carbamoylphenyl)methyl]-3-methylpiperidine-2-carboxylic acid

1-[(2-carbamoylphenyl)methyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107072129) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[(2-carbamoylphenyl)methyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-carbamoylphenyl)methyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107072129
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[(2-carbamoylphenyl)methyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(Cc2ccccc2C(N)=O)C1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-10-5-4-8-17(13(10)15(19)20)9-11-6-2-3-7-12(11)14(16)18/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H2,16,18)(H,19,20)
InChIKeyZWXYFXNTICMQCW-UHFFFAOYSA-N
XLogP1.47
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid
CID 43440689
1-[[2-(methoxymethyl)phenyl]methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786893
1-[2-(2-aminoethyl)benzoyl]-3-methylpiperidine-2-carboxylic acid
CID 107068810
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidine-2-carboxylic acid
CID 107072262
1-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786558
3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 107072416
3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 107072167
methyl (2S,3R)-1-benzyl-3-methylpiperidine-2-carboxylate
CID 10610504
1-[(2,4-dimethylphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786561
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylpiperidine-2-carboxylic acid
CID 107072585
2-[(2-methylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 60974617
1-(2-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069786

Frequently Asked Questions

What is the IUPAC name of 1-[(2-carbamoylphenyl)methyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-carbamoylphenyl)methyl]-3-methylpiperidine-2-carboxylic acid (CID 107072129) is 1-[(2-carbamoylphenyl)methyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-carbamoylphenyl)methyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-carbamoylphenyl)methyl]-3-methylpiperidine-2-carboxylic acid is CC1CCCN(Cc2ccccc2C(N)=O)C1C(=O)O.
What is the InChIKey of 1-[(2-carbamoylphenyl)methyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is ZWXYFXNTICMQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-5-4-8-17(13(10)15(19)20)9-11-6-2-3-7-12(11)14(16)18/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H2,16,18)(H,19,20).
What are the key properties of 1-[(2-carbamoylphenyl)methyl]-3-methylpiperidine-2-carboxylic acid?
1-[(2-carbamoylphenyl)methyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-carbamoylphenyl)methyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107072129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).