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

C24H37N3O2 — CID 109149374

IUPACN-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
SMILESCCCCN(C)C(=O)C1CCC(C(=O)N2CCN(c3cccc(C)c3)CC2)CC1
InChIInChI=1S/C24H37N3O2/c1-4-5-13-25(3)23(28)20-9-11-21(12-10-20)24(29)27-16-14-26(15-17-27)22-8-6-7-19(2)18-22/h6-8,18,20-21H,4-5,9-17H2,1-3H3
InChIKeyWGVZOIOMDKKKND-UHFFFAOYSA-N
MW399.58 g/mol
LogP3.71
Rot. Bonds6

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

N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide (PubChem CID 109149374) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
PubChem CID109149374
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC NameN-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
SMILESCCCCN(C)C(=O)C1CCC(C(=O)N2CCN(c3cccc(C)c3)CC2)CC1
InChIInChI=1S/C24H37N3O2/c1-4-5-13-25(3)23(28)20-9-11-21(12-10-20)24(29)27-16-14-26(15-17-27)22-8-6-7-19(2)18-22/h6-8,18,20-21H,4-5,9-17H2,1-3H3
InChIKeyWGVZOIOMDKKKND-UHFFFAOYSA-N
XLogP3.71
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978748
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029274
N-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylcyclopropane-1-carboxamide
CID 109139074
1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 136516670
cyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 110478194
N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109144708
N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109088698
N-butyl-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 87022999
N-(3-methylbutyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109149372
(3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 154853506
1-[2-(dimethylamino)ethyl]-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113182849

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide?
The IUPAC name of N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide (CID 109149374) is N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide is CCCCN(C)C(=O)C1CCC(C(=O)N2CCN(c3cccc(C)c3)CC2)CC1.
What is the InChIKey of N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide?
The InChIKey is WGVZOIOMDKKKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-4-5-13-25(3)23(28)20-9-11-21(12-10-20)24(29)27-16-14-26(15-17-27)22-8-6-7-19(2)18-22/h6-8,18,20-21H,4-5,9-17H2,1-3H3.
What are the key properties of N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide?
N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide has a molecular weight of 399.58 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 109149374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).