4-(oxan-4-yl)-N-(4-phenylcyclohexyl)piperazine-1-carboxamide

C22H33N3O2 — CID 126784702

IUPAC4-(oxan-4-yl)-N-(4-phenylcyclohexyl)piperazine-1-carboxamide
SMILESO=C(NC1CCC(c2ccccc2)CC1)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C22H33N3O2/c26-22(25-14-12-24(13-15-25)21-10-16-27-17-11-21)23-20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-5,19-21H,6-17H2,(H,23,26)
InChIKeyNGMLYVZBKDSSAD-UHFFFAOYSA-N
MW371.52 g/mol
LogP3.22
Rot. Bonds3

About 4-(oxan-4-yl)-N-(4-phenylcyclohexyl)piperazine-1-carboxamide

4-(oxan-4-yl)-N-(4-phenylcyclohexyl)piperazine-1-carboxamide (PubChem CID 126784702) has the molecular formula C22H33N3O2 and a molecular weight of 371.52 g/mol. Its IUPAC name is 4-(oxan-4-yl)-N-(4-phenylcyclohexyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(oxan-4-yl)-N-(4-phenylcyclohexyl)piperazine-1-carboxamide
PubChem CID126784702
Molecular FormulaC22H33N3O2
Molecular Weight371.52 g/mol
Exact Mass371.26
IUPAC Name4-(oxan-4-yl)-N-(4-phenylcyclohexyl)piperazine-1-carboxamide
SMILESO=C(NC1CCC(c2ccccc2)CC1)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C22H33N3O2/c26-22(25-14-12-24(13-15-25)21-10-16-27-17-11-21)23-20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-5,19-21H,6-17H2,(H,23,26)
InChIKeyNGMLYVZBKDSSAD-UHFFFAOYSA-N
XLogP3.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(oxan-4-yl)-N-(4-phenylcyclohexyl)piperazine-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

4-cyclopentyl-N-(oxan-4-yl)piperazine-1-carboxamide
CID 121184730
4-methyl-N-(oxan-4-yl)-3-phenylpiperazine-1-carboxamide
CID 110610555
4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61443231
N-benzyl-4-(oxolan-3-yl)-1,4-diazepane-1-carboxamide
CID 134160951
4-[4-(dimethylsulfamoyl)phenyl]-N-(oxan-4-yl)piperidine-1-carboxamide
CID 144925862
morpholin-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 67308530
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
(2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 119947314
N-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide
CID 23766297
4-N-benzyl-1-N-(1-cyclopropylpiperidin-4-yl)piperidine-1,4-dicarboxamide
CID 87003142
N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide
CID 153404857
N-(4-phenylcyclohexyl)imidazole-1-carboxamide
CID 81257713

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yl)-N-(4-phenylcyclohexyl)piperazine-1-carboxamide?
The IUPAC name of 4-(oxan-4-yl)-N-(4-phenylcyclohexyl)piperazine-1-carboxamide (CID 126784702) is 4-(oxan-4-yl)-N-(4-phenylcyclohexyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(oxan-4-yl)-N-(4-phenylcyclohexyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(oxan-4-yl)-N-(4-phenylcyclohexyl)piperazine-1-carboxamide is O=C(NC1CCC(c2ccccc2)CC1)N1CCN(C2CCOCC2)CC1.
What is the InChIKey of 4-(oxan-4-yl)-N-(4-phenylcyclohexyl)piperazine-1-carboxamide?
The InChIKey is NGMLYVZBKDSSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c26-22(25-14-12-24(13-15-25)21-10-16-27-17-11-21)23-20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-5,19-21H,6-17H2,(H,23,26).
What are the key properties of 4-(oxan-4-yl)-N-(4-phenylcyclohexyl)piperazine-1-carboxamide?
4-(oxan-4-yl)-N-(4-phenylcyclohexyl)piperazine-1-carboxamide has a molecular weight of 371.52 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yl)-N-(4-phenylcyclohexyl)piperazine-1-carboxamide is sourced from PubChem (CID 126784702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).