4-(4-methylpiperazine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide

C22H33N3O2 — CID 109147427

IUPAC4-(4-methylpiperazine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCC(C(=O)N3CCN(C)CC3)CC2)c(C)c1
InChIInChI=1S/C22H33N3O2/c1-15-13-16(2)20(17(3)14-15)23-21(26)18-5-7-19(8-6-18)22(27)25-11-9-24(4)10-12-25/h13-14,18-19H,5-12H2,1-4H3,(H,23,26)
InChIKeyUMUJUYDKOMQNNB-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.13
Rot. Bonds3

About 4-(4-methylpiperazine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide

4-(4-methylpiperazine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide (PubChem CID 109147427) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 4-(4-methylpiperazine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(4-methylpiperazine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide
PubChem CID109147427
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name4-(4-methylpiperazine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCC(C(=O)N3CCN(C)CC3)CC2)c(C)c1
InChIInChI=1S/C22H33N3O2/c1-15-13-16(2)20(17(3)14-15)23-21(26)18-5-7-19(8-6-18)22(27)25-11-9-24(4)10-12-25/h13-14,18-19H,5-12H2,1-4H3,(H,23,26)
InChIKeyUMUJUYDKOMQNNB-UHFFFAOYSA-N
XLogP3.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylpiperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide
CID 109150065
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147440
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147450
1-(2-methylpropanoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 31697184
N-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147476
methyl 4-[[4-(4-methylpiperazine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 109147465
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 55320851
1,1-dioxo-N-(2,4,6-trimethylphenyl)thiane-3-carboxamide
CID 110858216
4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide
CID 109147715
4-(4-methylpiperazine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 109147452
1-(1-methylpiperidin-4-yl)-3-(2,4,6-trimethylphenyl)urea
CID 47132999

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(4-methylpiperazine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide (CID 109147427) is 4-(4-methylpiperazine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(4-methylpiperazine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(4-methylpiperazine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide is Cc1cc(C)c(NC(=O)C2CCC(C(=O)N3CCN(C)CC3)CC2)c(C)c1.
What is the InChIKey of 4-(4-methylpiperazine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide?
The InChIKey is UMUJUYDKOMQNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-15-13-16(2)20(17(3)14-15)23-21(26)18-5-7-19(8-6-18)22(27)25-11-9-24(4)10-12-25/h13-14,18-19H,5-12H2,1-4H3,(H,23,26).
What are the key properties of 4-(4-methylpiperazine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide?
4-(4-methylpiperazine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109147427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).