4-(3-acetylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide

C23H29N3O2 — CID 113112569

IUPAC4-(3-acetylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(=O)c1cccc(N2CCN(C(=O)Nc3c(C)cccc3C(C)C)CC2)c1
InChIInChI=1S/C23H29N3O2/c1-16(2)21-10-5-7-17(3)22(21)24-23(28)26-13-11-25(12-14-26)20-9-6-8-19(15-20)18(4)27/h5-10,15-16H,11-14H2,1-4H3,(H,24,28)
InChIKeyWVWJBFABZPTICL-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.68
Rot. Bonds4

About 4-(3-acetylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide

4-(3-acetylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 113112569) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-(3-acetylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-acetylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID113112569
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-(3-acetylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(=O)c1cccc(N2CCN(C(=O)Nc3c(C)cccc3C(C)C)CC2)c1
InChIInChI=1S/C23H29N3O2/c1-16(2)21-10-5-7-17(3)22(21)24-23(28)26-13-11-25(12-14-26)20-9-6-8-19(15-20)18(4)27/h5-10,15-16H,11-14H2,1-4H3,(H,24,28)
InChIKeyWVWJBFABZPTICL-UHFFFAOYSA-N
XLogP4.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159393230
N-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105948
4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113104956
N-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 113103376
4-(3-chloro-4-methylphenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111875
N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide
CID 108988458
4-(3-acetylphenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114133
2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142532
4-(3-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide
CID 113114155
3-methyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47195287
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 18084160
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-acetylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide (CID 113112569) is 4-(3-acetylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-acetylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-acetylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide is CC(=O)c1cccc(N2CCN(C(=O)Nc3c(C)cccc3C(C)C)CC2)c1.
What is the InChIKey of 4-(3-acetylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is WVWJBFABZPTICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16(2)21-10-5-7-17(3)22(21)24-23(28)26-13-11-25(12-14-26)20-9-6-8-19(15-20)18(4)27/h5-10,15-16H,11-14H2,1-4H3,(H,24,28).
What are the key properties of 4-(3-acetylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide?
4-(3-acetylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113112569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).