N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide

C21H26N4O2 — CID 113111755

IUPACN-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)N2CCN(c3cc(C)cc(C)c3)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-15-12-16(2)14-20(13-15)24-8-10-25(11-9-24)21(27)23-19-6-4-18(5-7-19)22-17(3)26/h4-7,12-14H,8-11H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyHLZXVXGRCKKFQJ-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.62
Rot. Bonds3

About N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide

N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 113111755) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
PubChem CID113111755
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)N2CCN(c3cc(C)cc(C)c3)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-15-12-16(2)14-20(13-15)24-8-10-25(11-9-24)21(27)23-19-6-4-18(5-7-19)22-17(3)26/h4-7,12-14H,8-11H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyHLZXVXGRCKKFQJ-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

N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111729
N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111759
4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113111740
N-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 174684643
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112439
N-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111849
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
N-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide
CID 113113323
methyl 3-[4-[(4-acetamidophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113114297
4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113951

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide (CID 113111755) is N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide is CC(=O)Nc1ccc(NC(=O)N2CCN(c3cc(C)cc(C)c3)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is HLZXVXGRCKKFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-12-16(2)14-20(13-15)24-8-10-25(11-9-24)21(27)23-19-6-4-18(5-7-19)22-17(3)26/h4-7,12-14H,8-11H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
N-(4-acetamidophenyl)-4-(3,5-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-(3,5-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).