2-[4-(3-cyanobenzoyl)piperazin-1-yl]benzamide

C19H18N4O2 — CID 57002427

IUPAC2-[4-(3-cyanobenzoyl)piperazin-1-yl]benzamide
SMILESN#Cc1cccc(C(=O)N2CCN(c3ccccc3C(N)=O)CC2)c1
InChIInChI=1S/C19H18N4O2/c20-13-14-4-3-5-15(12-14)19(25)23-10-8-22(9-11-23)17-7-2-1-6-16(17)18(21)24/h1-7,12H,8-11H2,(H2,21,24)
InChIKeyMRZRNDBUBVLPMF-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.62
Rot. Bonds3

About 2-[4-(3-cyanobenzoyl)piperazin-1-yl]benzamide

2-[4-(3-cyanobenzoyl)piperazin-1-yl]benzamide (PubChem CID 57002427) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[4-(3-cyanobenzoyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name2-[4-(3-cyanobenzoyl)piperazin-1-yl]benzamide
PubChem CID57002427
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-[4-(3-cyanobenzoyl)piperazin-1-yl]benzamide
SMILESN#Cc1cccc(C(=O)N2CCN(c3ccccc3C(N)=O)CC2)c1
InChIInChI=1S/C19H18N4O2/c20-13-14-4-3-5-15(12-14)19(25)23-10-8-22(9-11-23)17-7-2-1-6-16(17)18(21)24/h1-7,12H,8-11H2,(H2,21,24)
InChIKeyMRZRNDBUBVLPMF-UHFFFAOYSA-N
XLogP1.62
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-cyanobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397171
3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]benzonitrile
CID 110818196
3-(4-propanoylpiperazine-1-carbonyl)benzonitrile
CID 110817109
3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzonitrile
CID 9254489
2-[4-(3-cyanobenzoyl)piperazin-1-yl]propanamide
CID 110750457
3-(4-ethylpiperazine-1-carbonyl)benzonitrile
CID 24705245
3-[4-(3-methylbutanoyl)piperazine-1-carbonyl]benzonitrile
CID 110817697
3-(4-hydroxypiperidine-1-carbonyl)benzonitrile
CID 24690177
3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile
CID 122342900
3-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]benzonitrile
CID 63656587
3-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile
CID 122336697
3-[4-[4-(dimethylamino)benzoyl]piperazine-1-carbonyl]benzonitrile
CID 110365202

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyanobenzoyl)piperazin-1-yl]benzamide?
The IUPAC name of 2-[4-(3-cyanobenzoyl)piperazin-1-yl]benzamide (CID 57002427) is 2-[4-(3-cyanobenzoyl)piperazin-1-yl]benzamide.
What is the SMILES notation for 2-[4-(3-cyanobenzoyl)piperazin-1-yl]benzamide?
The canonical SMILES for 2-[4-(3-cyanobenzoyl)piperazin-1-yl]benzamide is N#Cc1cccc(C(=O)N2CCN(c3ccccc3C(N)=O)CC2)c1.
What is the InChIKey of 2-[4-(3-cyanobenzoyl)piperazin-1-yl]benzamide?
The InChIKey is MRZRNDBUBVLPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-13-14-4-3-5-15(12-14)19(25)23-10-8-22(9-11-23)17-7-2-1-6-16(17)18(21)24/h1-7,12H,8-11H2,(H2,21,24).
What are the key properties of 2-[4-(3-cyanobenzoyl)piperazin-1-yl]benzamide?
2-[4-(3-cyanobenzoyl)piperazin-1-yl]benzamide has a molecular weight of 334.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyanobenzoyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 57002427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).