N-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide

C21H26N4O2 — CID 113111849

IUPACN-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)N2CCN(c3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-15-5-4-6-16(2)20(15)24-11-13-25(14-12-24)21(27)23-19-9-7-18(8-10-19)22-17(3)26/h4-10H,11-14H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyAOHOMVOCUUFSSO-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.62
Rot. Bonds3

About N-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide

N-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 113111849) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
PubChem CID113111849
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)N2CCN(c3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-15-5-4-6-16(2)20(15)24-11-13-25(14-12-24)21(27)23-19-9-7-18(8-10-19)22-17(3)26/h4-10H,11-14H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyAOHOMVOCUUFSSO-UHFFFAOYSA-N
XLogP3.62
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3688554
4-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111667
methyl 4-[[4-(2,6-dimethylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 113111851
N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113112200
N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111755
N-(2,5-dimethylphenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 23829397
4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113111831
N-(3-chloro-2-methylphenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111834
N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114241
N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112439
N-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide
CID 113112497
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide (CID 113111849) is N-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide is CC(=O)Nc1ccc(NC(=O)N2CCN(c3c(C)cccc3C)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is AOHOMVOCUUFSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-5-4-6-16(2)20(15)24-11-13-25(14-12-24)21(27)23-19-9-7-18(8-10-19)22-17(3)26/h4-10H,11-14H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide?
N-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).