4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)benzamide

C23H27N3O2 — CID 110418111

IUPAC4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCN(C(=O)C4CC4)CC3)cc2)cc1C
InChIInChI=1S/C23H27N3O2/c1-16-3-8-20(15-17(16)2)24-22(27)18-6-9-21(10-7-18)25-11-13-26(14-12-25)23(28)19-4-5-19/h3,6-10,15,19H,4-5,11-14H2,1-2H3,(H,24,27)
InChIKeyZEALHIKBDDMEEC-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.61
Rot. Bonds4

About 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)benzamide

4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)benzamide (PubChem CID 110418111) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)benzamide
PubChem CID110418111
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCN(C(=O)C4CC4)CC3)cc2)cc1C
InChIInChI=1S/C23H27N3O2/c1-16-3-8-20(15-17(16)2)24-22(27)18-6-9-21(10-7-18)25-11-13-26(14-12-25)23(28)19-4-5-19/h3,6-10,15,19H,4-5,11-14H2,1-2H3,(H,24,27)
InChIKeyZEALHIKBDDMEEC-UHFFFAOYSA-N
XLogP3.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[5-[(3,4-dimethylphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 91059200
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3-methylbenzamide
CID 112502797
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide
CID 112502796
4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide
CID 109147715
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595860
1-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-3-(3,4-dimethylphenyl)urea
CID 1056874
3,4-dimethyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 4500935
N-[4-[4-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]benzoyl]phenyl]thiophene-2-carboxamide
CID 67687012
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide
CID 1132517
4-(4-hydroxypiperidin-1-yl)-N-(4-methoxy-3-methylphenyl)benzamide
CID 111331962
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-3,5-dimethoxybenzamide
CID 1055982
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide
CID 110426763

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)benzamide?
The IUPAC name of 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)benzamide (CID 110418111) is 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)benzamide.
What is the SMILES notation for 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)benzamide?
The canonical SMILES for 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(N3CCN(C(=O)C4CC4)CC3)cc2)cc1C.
What is the InChIKey of 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)benzamide?
The InChIKey is ZEALHIKBDDMEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-3-8-20(15-17(16)2)24-22(27)18-6-9-21(10-7-18)25-11-13-26(14-12-25)23(28)19-4-5-19/h3,6-10,15,19H,4-5,11-14H2,1-2H3,(H,24,27).
What are the key properties of 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)benzamide?
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)benzamide has a molecular weight of 377.49 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)benzamide is sourced from PubChem (CID 110418111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).