4-[(4-ethylphenyl)carbamoyl-(3-methylbutyl)amino]piperidine-1-carboxylic acid

C20H31N3O3 — CID 4095855

IUPAC4-[(4-ethylphenyl)carbamoyl-(3-methylbutyl)amino]piperidine-1-carboxylic acid
SMILESCCc1ccc(NC(=O)N(CCC(C)C)C2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C20H31N3O3/c1-4-16-5-7-17(8-6-16)21-19(24)23(14-9-15(2)3)18-10-12-22(13-11-18)20(25)26/h5-8,15,18H,4,9-14H2,1-3H3,(H,21,24)(H,25,26)
InChIKeyWABKDBYHPMGNMV-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.27
Rot. Bonds6

About 4-[(4-ethylphenyl)carbamoyl-(3-methylbutyl)amino]piperidine-1-carboxylic acid

4-[(4-ethylphenyl)carbamoyl-(3-methylbutyl)amino]piperidine-1-carboxylic acid (PubChem CID 4095855) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-[(4-ethylphenyl)carbamoyl-(3-methylbutyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-ethylphenyl)carbamoyl-(3-methylbutyl)amino]piperidine-1-carboxylic acid
PubChem CID4095855
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name4-[(4-ethylphenyl)carbamoyl-(3-methylbutyl)amino]piperidine-1-carboxylic acid
SMILESCCc1ccc(NC(=O)N(CCC(C)C)C2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C20H31N3O3/c1-4-16-5-7-17(8-6-16)21-19(24)23(14-9-15(2)3)18-10-12-22(13-11-18)20(25)26/h5-8,15,18H,4,9-14H2,1-3H3,(H,21,24)(H,25,26)
InChIKeyWABKDBYHPMGNMV-UHFFFAOYSA-N
XLogP4.27
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(4-ethylphenyl)carbamoyl-(3-methylbutyl)amino]piperidine-1-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

4-[2,2-dimethoxyethyl(phenylcarbamoyl)amino]piperidine-1-carboxylic acid
CID 68962780
3-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]benzoic acid
CID 78973685
N-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 5154545
ethyl 3-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]propanoate
CID 42698446
4-[3,3-diphenylpropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]piperidine-1-carboxylic acid
CID 69321680
ethyl 4-[acetyl-[3-(4-ethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 113122175
2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 61196177
3-(4-ethylphenyl)-1-(3-hydroxybutyl)-1-methylurea
CID 111578837
1-(1-benzylpiperidin-4-yl)-1-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)urea
CID 42702435
1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxamide
CID 8627240
N-(4-ethylphenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108507216
4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61452845

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenyl)carbamoyl-(3-methylbutyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(4-ethylphenyl)carbamoyl-(3-methylbutyl)amino]piperidine-1-carboxylic acid (CID 4095855) is 4-[(4-ethylphenyl)carbamoyl-(3-methylbutyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(4-ethylphenyl)carbamoyl-(3-methylbutyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(4-ethylphenyl)carbamoyl-(3-methylbutyl)amino]piperidine-1-carboxylic acid is CCc1ccc(NC(=O)N(CCC(C)C)C2CCN(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[(4-ethylphenyl)carbamoyl-(3-methylbutyl)amino]piperidine-1-carboxylic acid?
The InChIKey is WABKDBYHPMGNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-4-16-5-7-17(8-6-16)21-19(24)23(14-9-15(2)3)18-10-12-22(13-11-18)20(25)26/h5-8,15,18H,4,9-14H2,1-3H3,(H,21,24)(H,25,26).
What are the key properties of 4-[(4-ethylphenyl)carbamoyl-(3-methylbutyl)amino]piperidine-1-carboxylic acid?
4-[(4-ethylphenyl)carbamoyl-(3-methylbutyl)amino]piperidine-1-carboxylic acid has a molecular weight of 361.49 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenyl)carbamoyl-(3-methylbutyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 4095855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).