N-(3-cyanophenyl)-3-piperazin-1-ylbenzamide

C18H18N4O — CID 28749044

IUPACN-(3-cyanophenyl)-3-piperazin-1-ylbenzamide
SMILESN#Cc1cccc(NC(=O)c2cccc(N3CCNCC3)c2)c1
InChIInChI=1S/C18H18N4O/c19-13-14-3-1-5-16(11-14)21-18(23)15-4-2-6-17(12-15)22-9-7-20-8-10-22/h1-6,11-12,20H,7-10H2,(H,21,23)
InChIKeyVIVJOZMZNTYVOE-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.22
Rot. Bonds3

About N-(3-cyanophenyl)-3-piperazin-1-ylbenzamide

N-(3-cyanophenyl)-3-piperazin-1-ylbenzamide (PubChem CID 28749044) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-piperazin-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-piperazin-1-ylbenzamide
PubChem CID28749044
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-(3-cyanophenyl)-3-piperazin-1-ylbenzamide
SMILESN#Cc1cccc(NC(=O)c2cccc(N3CCNCC3)c2)c1
InChIInChI=1S/C18H18N4O/c19-13-14-3-1-5-16(11-14)21-18(23)15-4-2-6-17(12-15)22-9-7-20-8-10-22/h1-6,11-12,20H,7-10H2,(H,21,23)
InChIKeyVIVJOZMZNTYVOE-UHFFFAOYSA-N
XLogP2.22
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(3-piperidin-1-ylphenyl)benzamide
CID 110362112
N-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide
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CID 18084163
N-(3-acetylphenyl)-4-piperazin-1-ylbenzamide
CID 174533104
N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159609
N-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230708
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193469
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-piperazin-1-ylbenzamide?
The IUPAC name of N-(3-cyanophenyl)-3-piperazin-1-ylbenzamide (CID 28749044) is N-(3-cyanophenyl)-3-piperazin-1-ylbenzamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-piperazin-1-ylbenzamide?
The canonical SMILES for N-(3-cyanophenyl)-3-piperazin-1-ylbenzamide is N#Cc1cccc(NC(=O)c2cccc(N3CCNCC3)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-piperazin-1-ylbenzamide?
The InChIKey is VIVJOZMZNTYVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c19-13-14-3-1-5-16(11-14)21-18(23)15-4-2-6-17(12-15)22-9-7-20-8-10-22/h1-6,11-12,20H,7-10H2,(H,21,23).
What are the key properties of N-(3-cyanophenyl)-3-piperazin-1-ylbenzamide?
N-(3-cyanophenyl)-3-piperazin-1-ylbenzamide has a molecular weight of 306.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-piperazin-1-ylbenzamide is sourced from PubChem (CID 28749044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).