4-cyclohexyl-N-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]piperazine-1-carboxamide

C22H36N4O — CID 125448609

IUPAC4-cyclohexyl-N-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]piperazine-1-carboxamide
SMILESCc1ccccc1[C@@H](CNC(=O)N1CCN(C2CCCCC2)CC1)N(C)C
InChIInChI=1S/C22H36N4O/c1-18-9-7-8-12-20(18)21(24(2)3)17-23-22(27)26-15-13-25(14-16-26)19-10-5-4-6-11-19/h7-9,12,19,21H,4-6,10-11,13-17H2,1-3H3,(H,23,27)/t21-/m1/s1
InChIKeyUVCAHYHWHSZDPM-OAQYLSRUSA-N
MW372.56 g/mol
LogP3.26
Rot. Bonds5

About 4-cyclohexyl-N-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]piperazine-1-carboxamide

4-cyclohexyl-N-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 125448609) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is 4-cyclohexyl-N-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]piperazine-1-carboxamide
PubChem CID125448609
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC Name4-cyclohexyl-N-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]piperazine-1-carboxamide
SMILESCc1ccccc1[C@@H](CNC(=O)N1CCN(C2CCCCC2)CC1)N(C)C
InChIInChI=1S/C22H36N4O/c1-18-9-7-8-12-20(18)21(24(2)3)17-23-22(27)26-15-13-25(14-16-26)19-10-5-4-6-11-19/h7-9,12,19,21H,4-6,10-11,13-17H2,1-3H3,(H,23,27)/t21-/m1/s1
InChIKeyUVCAHYHWHSZDPM-OAQYLSRUSA-N
XLogP3.26
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyclohexyl-N-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]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

Vestipitant
CID 9832383
N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
1-Benzyl-3-cyclohexylurea
CID 544877
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
CID 1358608
N-benzyl-4-cyclopentylpiperazine-1-carboxamide
CID 40012125
N,4-dibenzhydrylpiperazine-1-carboxamide
CID 10115592
1-(1-Phenyl-2-o-tolylethyl)piperazine
CID 44414708
1-(2-(2-Ethylphenyl)-1-phenylethyl)piperazine
CID 44414709
1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 9950165
5-Methyl-1-(1-phenethyl-piperidin-4-yl)-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10522613

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-cyclohexyl-N-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]piperazine-1-carboxamide (CID 125448609) is 4-cyclohexyl-N-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclohexyl-N-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-cyclohexyl-N-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]piperazine-1-carboxamide is Cc1ccccc1[C@@H](CNC(=O)N1CCN(C2CCCCC2)CC1)N(C)C.
What is the InChIKey of 4-cyclohexyl-N-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is UVCAHYHWHSZDPM-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H36N4O/c1-18-9-7-8-12-20(18)21(24(2)3)17-23-22(27)26-15-13-25(14-16-26)19-10-5-4-6-11-19/h7-9,12,19,21H,4-6,10-11,13-17H2,1-3H3,(H,23,27)/t21-/m1/s1.
What are the key properties of 4-cyclohexyl-N-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]piperazine-1-carboxamide?
4-cyclohexyl-N-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 372.56 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 125448609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).