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

C16H22N2O3 — CID 63137008

IUPAC1-[(2-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(Cc2ccccc2C(N)=O)C1
InChIInChI=1S/C16H22N2O3/c1-2-16(15(20)21)8-5-9-18(11-16)10-12-6-3-4-7-13(12)14(17)19/h3-4,6-7H,2,5,8-11H2,1H3,(H2,17,19)(H,20,21)
InChIKeyCRXZHEJYOVWDAZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.86
Rot. Bonds5

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

1-[(2-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxylic acid (PubChem CID 63137008) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(2-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
PubChem CID63137008
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(2-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(Cc2ccccc2C(N)=O)C1
InChIInChI=1S/C16H22N2O3/c1-2-16(15(20)21)8-5-9-18(11-16)10-12-6-3-4-7-13(12)14(17)19/h3-4,6-7H,2,5,8-11H2,1H3,(H2,17,19)(H,20,21)
InChIKeyCRXZHEJYOVWDAZ-UHFFFAOYSA-N
XLogP1.86
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126554
3-ethyl-1-[(2-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65063893
3-ethyl-1-[(2-ethylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65064228
2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzamide
CID 107408094
1-[(2,4-difluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137342
3-ethyl-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 65069026
1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 102616840
1-[(2-bromo-5-chlorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 66155501
1-[(2-methoxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63140979
3-ethyl-1-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid
CID 76986276
3-ethyl-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 115991110
3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 102877482

Frequently Asked Questions

What is the IUPAC name of 1-[(2-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxylic acid (CID 63137008) is 1-[(2-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(Cc2ccccc2C(N)=O)C1.
What is the InChIKey of 1-[(2-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is CRXZHEJYOVWDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-16(15(20)21)8-5-9-18(11-16)10-12-6-3-4-7-13(12)14(17)19/h3-4,6-7H,2,5,8-11H2,1H3,(H2,17,19)(H,20,21).
What are the key properties of 1-[(2-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxylic acid?
1-[(2-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.86, 5 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-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63137008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).