N-(4-butyl-2-methylphenyl)-4-(cyclohexanecarbonyl)piperazine-1-carboxamide

C23H35N3O2 — CID 23964750

IUPACN-(4-butyl-2-methylphenyl)-4-(cyclohexanecarbonyl)piperazine-1-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCN(C(=O)C3CCCCC3)CC2)c(C)c1
InChIInChI=1S/C23H35N3O2/c1-3-4-8-19-11-12-21(18(2)17-19)24-23(28)26-15-13-25(14-16-26)22(27)20-9-6-5-7-10-20/h11-12,17,20H,3-10,13-16H2,1-2H3,(H,24,28)
InChIKeyIKBWLQKOYCUGFB-UHFFFAOYSA-N
MW385.55 g/mol
LogP4.59
Rot. Bonds5

About N-(4-butyl-2-methylphenyl)-4-(cyclohexanecarbonyl)piperazine-1-carboxamide

N-(4-butyl-2-methylphenyl)-4-(cyclohexanecarbonyl)piperazine-1-carboxamide (PubChem CID 23964750) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-(4-butyl-2-methylphenyl)-4-(cyclohexanecarbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-butyl-2-methylphenyl)-4-(cyclohexanecarbonyl)piperazine-1-carboxamide
PubChem CID23964750
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-(4-butyl-2-methylphenyl)-4-(cyclohexanecarbonyl)piperazine-1-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCN(C(=O)C3CCCCC3)CC2)c(C)c1
InChIInChI=1S/C23H35N3O2/c1-3-4-8-19-11-12-21(18(2)17-19)24-23(28)26-15-13-25(14-16-26)22(27)20-9-6-5-7-10-20/h11-12,17,20H,3-10,13-16H2,1-2H3,(H,24,28)
InChIKeyIKBWLQKOYCUGFB-UHFFFAOYSA-N
XLogP4.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-butyl-2-methylphenyl)morpholine-4-carboxamide
CID 23881732
N-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide
CID 47031993
N-(4-butyl-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 3696602
N-(4-butylphenyl)pyrrolidine-1-carboxamide
CID 6467545
N-(4-butyl-2-methylphenyl)morpholine-4-carbothioamide
CID 3869336
N-(4-butyl-2-methylphenyl)-2-methylpropanamide
CID 86731579
N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
CID 115581766
4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 84528878
N-(4-butylphenyl)-4-(3-cyclopropylpropanoyl)-1,4-diazepane-1-carboxamide
CID 24948113
1-(cyclohexanecarbonyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 113006064
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
CID 48645800
N-(4-butyl-2-methylphenyl)-4-(4-chlorophenyl)sulfonylpiperazine-1-carbothioamide
CID 3686007

Frequently Asked Questions

What is the IUPAC name of N-(4-butyl-2-methylphenyl)-4-(cyclohexanecarbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-butyl-2-methylphenyl)-4-(cyclohexanecarbonyl)piperazine-1-carboxamide (CID 23964750) is N-(4-butyl-2-methylphenyl)-4-(cyclohexanecarbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-butyl-2-methylphenyl)-4-(cyclohexanecarbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-butyl-2-methylphenyl)-4-(cyclohexanecarbonyl)piperazine-1-carboxamide is CCCCc1ccc(NC(=O)N2CCN(C(=O)C3CCCCC3)CC2)c(C)c1.
What is the InChIKey of N-(4-butyl-2-methylphenyl)-4-(cyclohexanecarbonyl)piperazine-1-carboxamide?
The InChIKey is IKBWLQKOYCUGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-3-4-8-19-11-12-21(18(2)17-19)24-23(28)26-15-13-25(14-16-26)22(27)20-9-6-5-7-10-20/h11-12,17,20H,3-10,13-16H2,1-2H3,(H,24,28).
What are the key properties of N-(4-butyl-2-methylphenyl)-4-(cyclohexanecarbonyl)piperazine-1-carboxamide?
N-(4-butyl-2-methylphenyl)-4-(cyclohexanecarbonyl)piperazine-1-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butyl-2-methylphenyl)-4-(cyclohexanecarbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 23964750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).