4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethyl]piperidine-1-carboxamide

C22H33N3O2 — CID 86861417

IUPAC4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethyl]piperidine-1-carboxamide
SMILESCc1ccc(C(C)NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C22H33N3O2/c1-16-8-10-18(11-9-16)17(2)23-22(27)25-14-12-20(13-15-25)24-21(26)19-6-4-3-5-7-19/h8-11,17,19-20H,3-7,12-15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyWPRSZOIZVOZXFO-UHFFFAOYSA-N
MW371.52 g/mol
LogP3.93
Rot. Bonds4

About 4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethyl]piperidine-1-carboxamide

4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 86861417) has the molecular formula C22H33N3O2 and a molecular weight of 371.52 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethyl]piperidine-1-carboxamide
PubChem CID86861417
Molecular FormulaC22H33N3O2
Molecular Weight371.52 g/mol
Exact Mass371.26
IUPAC Name4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethyl]piperidine-1-carboxamide
SMILESCc1ccc(C(C)NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C22H33N3O2/c1-16-8-10-18(11-9-16)17(2)23-22(27)25-14-12-20(13-15-25)24-21(26)19-6-4-3-5-7-19/h8-11,17,19-20H,3-7,12-15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyWPRSZOIZVOZXFO-UHFFFAOYSA-N
XLogP3.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethyl]piperidine-1-carboxamide 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

N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 94647353
(3S)-1-[1-(4-methylphenyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119655
1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 94192175
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
CID 47322191
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 87008083
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(4-propan-2-ylsulfanylphenyl)ethyl]urea
CID 86889681
4-acetamido-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]piperidine-1-carboxamide
CID 95977786
(3R)-1-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95904024
4-(cyclobutanecarbonylamino)-N-cyclopentylpiperidine-1-carboxamide
CID 110822528
4-(cyclohexanecarbonylamino)-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 86862881

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethyl]piperidine-1-carboxamide (CID 86861417) is 4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethyl]piperidine-1-carboxamide is Cc1ccc(C(C)NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is WPRSZOIZVOZXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-16-8-10-18(11-9-16)17(2)23-22(27)25-14-12-20(13-15-25)24-21(26)19-6-4-3-5-7-19/h8-11,17,19-20H,3-7,12-15H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethyl]piperidine-1-carboxamide?
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 371.52 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 86861417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).