N-(4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C22H25N3O3 — CID 109138442

IUPACN-(4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N3O3/c1-28-18-9-7-16(8-10-18)23-21(26)19-15-20(19)22(27)25-13-11-24(12-14-25)17-5-3-2-4-6-17/h2-10,19-20H,11-15H2,1H3,(H,23,26)
InChIKeyIYKVAPWBCZVVCK-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.62
Rot. Bonds5

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

N-(4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109138442) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109138442
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N3O3/c1-28-18-9-7-16(8-10-18)23-21(26)19-15-20(19)22(27)25-13-11-24(12-14-25)17-5-3-2-4-6-17/h2-10,19-20H,11-15H2,1H3,(H,23,26)
InChIKeyIYKVAPWBCZVVCK-UHFFFAOYSA-N
XLogP2.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134248
N-benzyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109135029
N-(4-methoxyphenyl)-2-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132673
N-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138446
2-[(4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270389
2-(4-acetylpiperazine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 109134764
2-(morpholine-4-carbonyl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 109133413
2-(azepane-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 109140745
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 109138487
N-(4-chlorophenyl)-2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139020
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 109140677

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 109138442) is N-(4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is COc1ccc(NC(=O)C2CC2C(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is IYKVAPWBCZVVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-28-18-9-7-16(8-10-18)23-21(26)19-15-20(19)22(27)25-13-11-24(12-14-25)17-5-3-2-4-6-17/h2-10,19-20H,11-15H2,1H3,(H,23,26).
What are the key properties of N-(4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109138442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).