N-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C23H25N3O3 — CID 109138446

IUPACN-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CC2C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C23H25N3O3/c1-16(27)17-6-5-7-18(14-17)24-22(28)20-15-21(20)23(29)26-12-10-25(11-13-26)19-8-3-2-4-9-19/h2-9,14,20-21H,10-13,15H2,1H3,(H,24,28)
InChIKeyOPELBSRETAUBEO-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.81
Rot. Bonds5

About N-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109138446) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109138446
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CC2C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C23H25N3O3/c1-16(27)17-6-5-7-18(14-17)24-22(28)20-15-21(20)23(29)26-12-10-25(11-13-26)19-8-3-2-4-9-19/h2-9,14,20-21H,10-13,15H2,1H3,(H,24,28)
InChIKeyOPELBSRETAUBEO-UHFFFAOYSA-N
XLogP2.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134431
1-N-(3-acetylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143768
2-methyl-N-[3-(4-phenylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 55647883
methyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109134760
N-(3-acetylphenyl)-4-phenylpiperazine-1-carbothioamide
CID 19654358
N-(4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138442
N-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949450
methyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109132315
N-(3-chloro-2-methylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138436
2-(4-acetylpiperazine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 109134764
N-(4-chlorophenyl)-2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139020
2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 109140677

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 109138446) is N-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is CC(=O)c1cccc(NC(=O)C2CC2C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is OPELBSRETAUBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16(27)17-6-5-7-18(14-17)24-22(28)20-15-21(20)23(29)26-12-10-25(11-13-26)19-8-3-2-4-9-19/h2-9,14,20-21H,10-13,15H2,1H3,(H,24,28).
What are the key properties of N-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109138446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).