N-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide

C23H29N3O2 — CID 113112497

IUPACN-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide
SMILESCCc1cccc(CC)c1N1CCN(C(=O)Nc2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C23H29N3O2/c1-4-18-7-6-8-19(5-2)22(18)25-13-15-26(16-14-25)23(28)24-21-11-9-20(10-12-21)17(3)27/h6-12H,4-5,13-16H2,1-3H3,(H,24,28)
InChIKeyNJESVKPYKLTMRV-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.37
Rot. Bonds5

About N-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide

N-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide (PubChem CID 113112497) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide
PubChem CID113112497
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide
SMILESCCc1cccc(CC)c1N1CCN(C(=O)Nc2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C23H29N3O2/c1-4-18-7-6-8-19(5-2)22(18)25-13-15-26(16-14-25)23(28)24-21-11-9-20(10-12-21)17(3)27/h6-12H,4-5,13-16H2,1-3H3,(H,24,28)
InChIKeyNJESVKPYKLTMRV-UHFFFAOYSA-N
XLogP4.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114241
1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone
CID 113076338
N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113112200
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114224
N-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111849
N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86920409
N-(4-acetylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113108987
N-(4-acetylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112277
methyl 4-[[4-(2,6-dimethylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 113111851
4-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113111996
N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2204977

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide (CID 113112497) is N-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide is CCc1cccc(CC)c1N1CCN(C(=O)Nc2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of N-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide?
The InChIKey is NJESVKPYKLTMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-4-18-7-6-8-19(5-2)22(18)25-13-15-26(16-14-25)23(28)24-21-11-9-20(10-12-21)17(3)27/h6-12H,4-5,13-16H2,1-3H3,(H,24,28).
What are the key properties of N-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide?
N-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113112497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).