1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid

C17H24N2O3 — CID 122088784

IUPAC1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCc1ccc(NC(=O)N2CCC(C(=O)O)CC2)cc1CC
InChIInChI=1S/C17H24N2O3/c1-3-12-5-6-15(11-13(12)4-2)18-17(22)19-9-7-14(8-10-19)16(20)21/h5-6,11,14H,3-4,7-10H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyXOTFKABLNLJQIH-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.14
Rot. Bonds4

About 1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid

1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122088784) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID122088784
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCc1ccc(NC(=O)N2CCC(C(=O)O)CC2)cc1CC
InChIInChI=1S/C17H24N2O3/c1-3-12-5-6-15(11-13(12)4-2)18-17(22)19-9-7-14(8-10-19)16(20)21/h5-6,11,14H,3-4,7-10H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyXOTFKABLNLJQIH-UHFFFAOYSA-N
XLogP3.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(3,4-diethylphenyl)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-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087514
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122074199
1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122079089
1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122077567
1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318514
1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078818
1-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122090112
1-[[3,4-bis(methoxycarbonyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122085939
1-[[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122091808
1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031650
1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086770

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid (CID 122088784) is 1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid is CCc1ccc(NC(=O)N2CCC(C(=O)O)CC2)cc1CC.
What is the InChIKey of 1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is XOTFKABLNLJQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-12-5-6-15(11-13(12)4-2)18-17(22)19-9-7-14(8-10-19)16(20)21/h5-6,11,14H,3-4,7-10H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid?
1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122088784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).