N-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide

C19H19FN4O — CID 113107615

IUPACN-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CCN(Cc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H19FN4O/c20-17-6-4-15(5-7-17)14-23-8-10-24(11-9-23)19(25)22-18-3-1-2-16(12-18)13-21/h1-7,12H,8-11,14H2,(H,22,25)
InChIKeyXPOUGNIKOJRIJQ-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.05
Rot. Bonds3

About N-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide

N-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 113107615) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID113107615
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC NameN-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CCN(Cc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H19FN4O/c20-17-6-4-15(5-7-17)14-23-8-10-24(11-9-23)19(25)22-18-3-1-2-16(12-18)13-21/h1-7,12H,8-11,14H2,(H,22,25)
InChIKeyXPOUGNIKOJRIJQ-UHFFFAOYSA-N
XLogP3.05
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 113109998
N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105776
4-benzyl-N-(3-cyanophenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide
CID 23509675
4-[(4-cyanophenyl)methyl]-N-(3-fluoro-4-methoxyphenyl)piperazine-1-carboxamide
CID 51116707
1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide
CID 175260722
N-(3-cyanophenyl)-5-oxo-1,4-diazepane-1-carboxamide
CID 60969059
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 17087387
4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 71456901
N-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107573
N-(3-cyanophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 113114825
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)acetamide
CID 55362309
N-[4-(3-cyanophenyl)phenyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide
CID 56653758

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (CID 113107615) is N-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is N#Cc1cccc(NC(=O)N2CCN(Cc3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is XPOUGNIKOJRIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-17-6-4-15(5-7-17)14-23-8-10-24(11-9-23)19(25)22-18-3-1-2-16(12-18)13-21/h1-7,12H,8-11,14H2,(H,22,25).
What are the key properties of N-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
N-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113107615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).