1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid

C16H22N2O3 — CID 63138228

IUPAC1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C16H22N2O3/c1-2-16(14(19)20)9-6-10-18(12-16)15(21)17-11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,17,21)(H,19,20)
InChIKeyUWQNAUHHTRLVKQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.47
Rot. Bonds4

About 1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid

1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid (PubChem CID 63138228) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
PubChem CID63138228
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C16H22N2O3/c1-2-16(14(19)20)9-6-10-18(12-16)15(21)17-11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,17,21)(H,19,20)
InChIKeyUWQNAUHHTRLVKQ-UHFFFAOYSA-N
XLogP2.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(benzylcarbamoyl)-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

3-ethyl-1-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63146020
1-[(3-chlorophenyl)methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63147580
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
1-[(2-bromophenyl)methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63149203
N-benzyl-4,4-dimethylazepane-1-carboxamide
CID 103713688
3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63829635
N-benzylazonane-1-carboxamide
CID 130689649
1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63137242
3-ethyl-1-(2-methylsulfanylethylcarbamoyl)piperidine-3-carboxylic acid
CID 63960365
ethyl 3-benzyl-1-(ethylcarbamoyl)piperidine-3-carboxylate
CID 45244971
3-amino-1-(benzylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 107654401
3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 80722620

Frequently Asked Questions

What is the IUPAC name of 1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid (CID 63138228) is 1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)NCc2ccccc2)C1.
What is the InChIKey of 1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is UWQNAUHHTRLVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-16(14(19)20)9-6-10-18(12-16)15(21)17-11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid?
1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63138228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).