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

C24H29N3O2 — CID 109136754

IUPACN-benzyl-N-ethyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H29N3O2/c1-2-25(18-19-9-5-3-6-10-19)23(28)21-17-22(21)24(29)27-15-13-26(14-16-27)20-11-7-4-8-12-20/h3-12,21-22H,2,13-18H2,1H3
InChIKeyQIHIBYRETARPLY-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.02
Rot. Bonds6

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

N-benzyl-N-ethyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109136754) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109136754
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC NameN-benzyl-N-ethyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H29N3O2/c1-2-25(18-19-9-5-3-6-10-19)23(28)21-17-22(21)24(29)27-15-13-26(14-16-27)20-11-7-4-8-12-20/h3-12,21-22H,2,13-18H2,1H3
InChIKeyQIHIBYRETARPLY-UHFFFAOYSA-N
XLogP3.02
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-phenyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138426
N-benzyl-2-(2,3-dihydroindole-1-carbonyl)-N-ethylcyclopropane-1-carboxamide
CID 109136782
N-benzyl-2-(4-ethylpiperazine-1-carbonyl)-N-methylcyclopropane-1-carboxamide
CID 109134323
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 109132218
N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131814
N-benzyl-N-methyl-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132195
N-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide
CID 109022884
N-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131864
1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109136764
2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
CID 109139092
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113118231

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 109136754) is N-benzyl-N-ethyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is CCN(Cc1ccccc1)C(=O)C1CC1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-benzyl-N-ethyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is QIHIBYRETARPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-2-25(18-19-9-5-3-6-10-19)23(28)21-17-22(21)24(29)27-15-13-26(14-16-27)20-11-7-4-8-12-20/h3-12,21-22H,2,13-18H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-benzyl-N-ethyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 391.51 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109136754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).