4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile

C19H20N4O — CID 56790884

IUPAC4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile
SMILESCC(c1cccnc1)N1CCN(C(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H20N4O/c1-15(18-3-2-8-21-14-18)22-9-11-23(12-10-22)19(24)17-6-4-16(13-20)5-7-17/h2-8,14-15H,9-12H2,1H3
InChIKeyLSPQWBRHPIUKDY-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.47
Rot. Bonds3

About 4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile

4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile (PubChem CID 56790884) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile
PubChem CID56790884
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile
SMILESCC(c1cccnc1)N1CCN(C(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H20N4O/c1-15(18-3-2-8-21-14-18)22-9-11-23(12-10-22)19(24)17-6-4-16(13-20)5-7-17/h2-8,14-15H,9-12H2,1H3
InChIKeyLSPQWBRHPIUKDY-UHFFFAOYSA-N
XLogP2.47
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 60548232
4-(4-propan-2-ylpiperazine-1-carbonyl)benzonitrile
CID 21025530
2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
(3-aminophenyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903343
(2,3-dimethyl-1H-indol-5-yl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 136525932
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
(4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone
CID 95628023
4-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]benzonitrile
CID 53087822
(1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903305
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile;dihydrochloride
CID 90664393
[4-(1-pyridin-3-ylethyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 122081611
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 119903322

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile?
The IUPAC name of 4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile (CID 56790884) is 4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile.
What is the SMILES notation for 4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile?
The canonical SMILES for 4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile is CC(c1cccnc1)N1CCN(C(=O)c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile?
The InChIKey is LSPQWBRHPIUKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-15(18-3-2-8-21-14-18)22-9-11-23(12-10-22)19(24)17-6-4-16(13-20)5-7-17/h2-8,14-15H,9-12H2,1H3.
What are the key properties of 4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile?
4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile has a molecular weight of 320.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile is sourced from PubChem (CID 56790884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).