N-(3-methylbutyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide

C24H37N3O2 — CID 109149372

IUPACN-(3-methylbutyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)C3CCC(C(=O)NCCC(C)C)CC3)CC2)c1
InChIInChI=1S/C24H37N3O2/c1-18(2)11-12-25-23(28)20-7-9-21(10-8-20)24(29)27-15-13-26(14-16-27)22-6-4-5-19(3)17-22/h4-6,17-18,20-21H,7-16H2,1-3H3,(H,25,28)
InChIKeyHSKOQOGLSOPTAO-UHFFFAOYSA-N
MW399.58 g/mol
LogP3.61
Rot. Bonds6

About N-(3-methylbutyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide

N-(3-methylbutyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide (PubChem CID 109149372) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
PubChem CID109149372
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC NameN-(3-methylbutyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)C3CCC(C(=O)NCCC(C)C)CC3)CC2)c1
InChIInChI=1S/C24H37N3O2/c1-18(2)11-12-25-23(28)20-7-9-21(10-8-20)24(29)27-15-13-26(14-16-27)22-6-4-5-19(3)17-22/h4-6,17-18,20-21H,7-16H2,1-3H3,(H,25,28)
InChIKeyHSKOQOGLSOPTAO-UHFFFAOYSA-N
XLogP3.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylbutyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-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-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109144708
2-(3-methylbutylamino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004007
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
(3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 154853506
1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 136516670
N-(3-methylbutyl)-5-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109238422
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide
CID 38440971
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 109144515
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 109149020
N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109149374
1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea
CID 112994427
[2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131849

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(3-methylbutyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide (CID 109149372) is N-(3-methylbutyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide is Cc1cccc(N2CCN(C(=O)C3CCC(C(=O)NCCC(C)C)CC3)CC2)c1.
What is the InChIKey of N-(3-methylbutyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide?
The InChIKey is HSKOQOGLSOPTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-18(2)11-12-25-23(28)20-7-9-21(10-8-20)24(29)27-15-13-26(14-16-27)22-6-4-5-19(3)17-22/h4-6,17-18,20-21H,7-16H2,1-3H3,(H,25,28).
What are the key properties of N-(3-methylbutyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide?
N-(3-methylbutyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide has a molecular weight of 399.58 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 109149372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).