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

C22H27N3O2 — CID 113112277

IUPACN-(4-acetylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(c3ccccc3C(C)C)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-16(2)20-6-4-5-7-21(20)24-12-14-25(15-13-24)22(27)23-19-10-8-18(9-11-19)17(3)26/h4-11,16H,12-15H2,1-3H3,(H,23,27)
InChIKeyWCYMUGOUPNVHFN-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.37
Rot. Bonds4

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

N-(4-acetylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 113112277) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID113112277
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(4-acetylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(c3ccccc3C(C)C)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-16(2)20-6-4-5-7-21(20)24-12-14-25(15-13-24)22(27)23-19-10-8-18(9-11-19)17(3)26/h4-11,16H,12-15H2,1-3H3,(H,23,27)
InChIKeyWCYMUGOUPNVHFN-UHFFFAOYSA-N
XLogP4.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
N-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111919
methyl 4-[[4-(2-methylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 113111065
N-(2,4-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111461
N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114241
4-(2-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112383
N-(4-acetylphenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide
CID 17374223
N-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide
CID 113112497
4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide
CID 23821172
N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86920409
(4-fluorophenyl)-[4-(2-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076086
N-cyclohexyl-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113076124

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide (CID 113112277) is N-(4-acetylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide is CC(=O)c1ccc(NC(=O)N2CCN(c3ccccc3C(C)C)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is WCYMUGOUPNVHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16(2)20-6-4-5-7-21(20)24-12-14-25(15-13-24)22(27)23-19-10-8-18(9-11-19)17(3)26/h4-11,16H,12-15H2,1-3H3,(H,23,27).
What are the key properties of N-(4-acetylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
N-(4-acetylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113112277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).