4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide

C16H22N4O3 — CID 38724570

IUPAC4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(C(=O)N(C)C)CC2)c1
InChIInChI=1S/C16H22N4O3/c1-12(21)17-14-6-4-5-13(11-14)15(22)19-7-9-20(10-8-19)16(23)18(2)3/h4-6,11H,7-10H2,1-3H3,(H,17,21)
InChIKeyWIHADLVKXURGJN-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.08
Rot. Bonds2

About 4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide

4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 38724570) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
PubChem CID38724570
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(C(=O)N(C)C)CC2)c1
InChIInChI=1S/C16H22N4O3/c1-12(21)17-14-6-4-5-13(11-14)15(22)19-7-9-20(10-8-19)16(23)18(2)3/h4-6,11H,7-10H2,1-3H3,(H,17,21)
InChIKeyWIHADLVKXURGJN-UHFFFAOYSA-N
XLogP1.08
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395
N-[3-[4-[3-(dimethylamino)propanoyl]piperazine-1-carbonyl]phenyl]acetamide
CID 110666185
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
methyl 4-(3-acetamidobenzoyl)-1,4-diazepane-1-carboxylate
CID 110808690
N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110365637
N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 82354357
N-[3-[4-(3-methylbutanoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 110806834
4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
CID 1121209
N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 106671409
N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053601
N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide
CID 55178587
4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide
CID 110812202

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide (CID 38724570) is 4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide is CC(=O)Nc1cccc(C(=O)N2CCN(C(=O)N(C)C)CC2)c1.
What is the InChIKey of 4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is WIHADLVKXURGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-12(21)17-14-6-4-5-13(11-14)15(22)19-7-9-20(10-8-19)16(23)18(2)3/h4-6,11H,7-10H2,1-3H3,(H,17,21).
What are the key properties of 4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide?
4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 38724570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).