4-[(4-cyanophenyl)methyl]-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide

C23H26N4O — CID 46493889

IUPAC4-[(4-cyanophenyl)methyl]-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide
SMILESN#Cc1ccc(CN2CCN(C(=O)NC(c3ccccc3)C3CC3)CC2)cc1
InChIInChI=1S/C23H26N4O/c24-16-18-6-8-19(9-7-18)17-26-12-14-27(15-13-26)23(28)25-22(21-10-11-21)20-4-2-1-3-5-20/h1-9,21-22H,10-15,17H2,(H,25,28)
InChIKeyFNPGWPWHZRSXGU-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.54
Rot. Bonds5

About 4-[(4-cyanophenyl)methyl]-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide

4-[(4-cyanophenyl)methyl]-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide (PubChem CID 46493889) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-[(4-cyanophenyl)methyl]-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-cyanophenyl)methyl]-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide
PubChem CID46493889
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-[(4-cyanophenyl)methyl]-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide
SMILESN#Cc1ccc(CN2CCN(C(=O)NC(c3ccccc3)C3CC3)CC2)cc1
InChIInChI=1S/C23H26N4O/c24-16-18-6-8-19(9-7-18)17-26-12-14-27(15-13-26)23(28)25-22(21-10-11-21)20-4-2-1-3-5-20/h1-9,21-22H,10-15,17H2,(H,25,28)
InChIKeyFNPGWPWHZRSXGU-UHFFFAOYSA-N
XLogP3.54
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-carboxamide
CID 55457532
[(1R)-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]urea
CID 31475605
4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile
CID 33349056
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55355595
4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide
CID 86802695
4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]benzonitrile
CID 31946879
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N,2-diphenylacetamide
CID 46667188
1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone
CID 110411985
4-[[4-(3-phenylprop-2-enoyl)piperazin-1-yl]methyl]benzonitrile
CID 75127203
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetic acid
CID 43396853
N-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 27755996
4-[[4-(bicyclo[4.1.0]heptane-7-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 86778101

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenyl)methyl]-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(4-cyanophenyl)methyl]-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide (CID 46493889) is 4-[(4-cyanophenyl)methyl]-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-cyanophenyl)methyl]-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(4-cyanophenyl)methyl]-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide is N#Cc1ccc(CN2CCN(C(=O)NC(c3ccccc3)C3CC3)CC2)cc1.
What is the InChIKey of 4-[(4-cyanophenyl)methyl]-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide?
The InChIKey is FNPGWPWHZRSXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c24-16-18-6-8-19(9-7-18)17-26-12-14-27(15-13-26)23(28)25-22(21-10-11-21)20-4-2-1-3-5-20/h1-9,21-22H,10-15,17H2,(H,25,28).
What are the key properties of 4-[(4-cyanophenyl)methyl]-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide?
4-[(4-cyanophenyl)methyl]-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyanophenyl)methyl]-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 46493889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).