4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-methyl-N-phenylbenzamide

C22H25N3O2 — CID 110417503

IUPAC4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-23(19-5-3-2-4-6-19)21(26)17-9-11-20(12-10-17)24-13-15-25(16-14-24)22(27)18-7-8-18/h2-6,9-12,18H,7-8,13-16H2,1H3
InChIKeyDNXJGTGRDJCOLK-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.02
Rot. Bonds4

About 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-methyl-N-phenylbenzamide

4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-methyl-N-phenylbenzamide (PubChem CID 110417503) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-methyl-N-phenylbenzamide
PubChem CID110417503
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-23(19-5-3-2-4-6-19)21(26)17-9-11-20(12-10-17)24-13-15-25(16-14-24)22(27)18-7-8-18/h2-6,9-12,18H,7-8,13-16H2,1H3
InChIKeyDNXJGTGRDJCOLK-UHFFFAOYSA-N
XLogP3.02
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide
CID 111331488
4-[4-[4-[2-methylpropyl(phenyl)carbamoyl]phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 91287242
cyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 110478194
N-methyl-N,4-diphenylpiperazine-1-carboxamide
CID 890140
cyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone
CID 141336827
cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 113078713
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
N-methylmethanamine;N-methyl-4-phenoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 142931521
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide
CID 110406768
4-(cyclopropanecarbonylcarbamothioylamino)-N-methyl-N-phenylbenzamide
CID 17230398

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-methyl-N-phenylbenzamide?
The IUPAC name of 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-methyl-N-phenylbenzamide (CID 110417503) is 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-methyl-N-phenylbenzamide is CN(C(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)c1ccccc1.
What is the InChIKey of 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-methyl-N-phenylbenzamide?
The InChIKey is DNXJGTGRDJCOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-23(19-5-3-2-4-6-19)21(26)17-9-11-20(12-10-17)24-13-15-25(16-14-24)22(27)18-7-8-18/h2-6,9-12,18H,7-8,13-16H2,1H3.
What are the key properties of 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-methyl-N-phenylbenzamide?
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-methyl-N-phenylbenzamide has a molecular weight of 363.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 110417503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).