1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid

C16H22N2O4 — CID 122079089

IUPAC1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCOc1cc(NC(=O)N2CCC(C(=O)O)CC2)ccc1C
InChIInChI=1S/C16H22N2O4/c1-3-22-14-10-13(5-4-11(14)2)17-16(21)18-8-6-12(7-9-18)15(19)20/h4-5,10,12H,3,6-9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyYAHSCAXPWVYBKK-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.72
Rot. Bonds4

About 1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid

1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122079089) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID122079089
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCOc1cc(NC(=O)N2CCC(C(=O)O)CC2)ccc1C
InChIInChI=1S/C16H22N2O4/c1-3-22-14-10-13(5-4-11(14)2)17-16(21)18-8-6-12(7-9-18)15(19)20/h4-5,10,12H,3,6-9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyYAHSCAXPWVYBKK-UHFFFAOYSA-N
XLogP2.72
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-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-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122074199
1-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122085465
1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122088784
(3aR,4R,7R,7aR)-N-(3-ethoxy-4-methylphenyl)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
CID 129378263
N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 84600938
1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087514
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122090112
4-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
CID 25163200
N-(4-ethoxy-3-methylphenyl)morpholine-4-carboxamide
CID 47410728
1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 56824217
1-[(4-methyl-3-propan-2-yloxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122091780

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid (CID 122079089) is 1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid is CCOc1cc(NC(=O)N2CCC(C(=O)O)CC2)ccc1C.
What is the InChIKey of 1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is YAHSCAXPWVYBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-22-14-10-13(5-4-11(14)2)17-16(21)18-8-6-12(7-9-18)15(19)20/h4-5,10,12H,3,6-9H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid?
1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 306.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122079089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).