N-ethyl-N-phenyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C23H27N3O2 — CID 109138426

IUPACN-ethyl-N-phenyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN(C(=O)C1CC1C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H27N3O2/c1-2-26(19-11-7-4-8-12-19)23(28)21-17-20(21)22(27)25-15-13-24(14-16-25)18-9-5-3-6-10-18/h3-12,20-21H,2,13-17H2,1H3
InChIKeyNZLJSGGBHWXMLE-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.02
Rot. Bonds5

About N-ethyl-N-phenyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-ethyl-N-phenyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109138426) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-ethyl-N-phenyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109138426
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-ethyl-N-phenyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN(C(=O)C1CC1C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H27N3O2/c1-2-26(19-11-7-4-8-12-19)23(28)21-17-20(21)22(27)25-15-13-24(14-16-25)18-9-5-3-6-10-18/h3-12,20-21H,2,13-17H2,1H3
InChIKeyNZLJSGGBHWXMLE-UHFFFAOYSA-N
XLogP3.02
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109136754
N-ethyl-N,4-diphenylpiperazine-1-carboxamide
CID 108989539
N-ethyl-2-oxo-N-phenyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 108518692
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 109132218
2-N-butan-2-yl-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109131699
N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147543
N-ethyl-5-oxo-N,1-diphenylpyrrolidine-2-carboxamide
CID 110418953
N-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylcyclopropane-1-carboxamide
CID 109139074
2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60952583
2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 2933500
1-(3-phenylimidazolidin-1-yl)propan-1-one
CID 102279123
N-methyl-N,4-diphenylpiperazine-1-carboxamide
CID 890140

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-ethyl-N-phenyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 109138426) is N-ethyl-N-phenyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-ethyl-N-phenyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-ethyl-N-phenyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is CCN(C(=O)C1CC1C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is NZLJSGGBHWXMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-2-26(19-11-7-4-8-12-19)23(28)21-17-20(21)22(27)25-15-13-24(14-16-25)18-9-5-3-6-10-18/h3-12,20-21H,2,13-17H2,1H3.
What are the key properties of N-ethyl-N-phenyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-ethyl-N-phenyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109138426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).