2-[4-(3-methylpyridine-2-carbonyl)piperazin-1-yl]butanenitrile

C15H20N4O — CID 63337428

IUPAC2-[4-(3-methylpyridine-2-carbonyl)piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(C(=O)c2ncccc2C)CC1
InChIInChI=1S/C15H20N4O/c1-3-13(11-16)18-7-9-19(10-8-18)15(20)14-12(2)5-4-6-17-14/h4-6,13H,3,7-10H2,1-2H3
InChIKeyAIVJDABFCSHNPD-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.45
Rot. Bonds3

About 2-[4-(3-methylpyridine-2-carbonyl)piperazin-1-yl]butanenitrile

2-[4-(3-methylpyridine-2-carbonyl)piperazin-1-yl]butanenitrile (PubChem CID 63337428) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[4-(3-methylpyridine-2-carbonyl)piperazin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-[4-(3-methylpyridine-2-carbonyl)piperazin-1-yl]butanenitrile
PubChem CID63337428
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[4-(3-methylpyridine-2-carbonyl)piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(C(=O)c2ncccc2C)CC1
InChIInChI=1S/C15H20N4O/c1-3-13(11-16)18-7-9-19(10-8-18)15(20)14-12(2)5-4-6-17-14/h4-6,13H,3,7-10H2,1-2H3
InChIKeyAIVJDABFCSHNPD-UHFFFAOYSA-N
XLogP1.45
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(pyridine-3-carbonyl)piperazin-1-yl]butanenitrile
CID 63337295
2-[4-(2-hydroxy-3-methylbenzoyl)piperazin-1-yl]butanenitrile
CID 63337733
2-(4-benzoylpiperazin-1-yl)butanenitrile
CID 63337423
2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]butanenitrile
CID 63337599
2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]butanenitrile
CID 105351139
2-[4-(3-ethoxypyridine-2-carbonyl)piperazin-1-yl]-3-methylbutanenitrile
CID 71979464
2-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butanenitrile
CID 63337858
2-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]butanenitrile
CID 63337775
2-[4-(1-cyanopropyl)piperazin-1-yl]pyridine-3-carboxamide
CID 63343846
2-[4-(3-bromobenzoyl)piperazin-1-yl]butanenitrile
CID 63337687
2-[4-(2,3-difluorobenzoyl)piperazin-1-yl]butanenitrile
CID 63337429
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 63341090

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylpyridine-2-carbonyl)piperazin-1-yl]butanenitrile?
The IUPAC name of 2-[4-(3-methylpyridine-2-carbonyl)piperazin-1-yl]butanenitrile (CID 63337428) is 2-[4-(3-methylpyridine-2-carbonyl)piperazin-1-yl]butanenitrile.
What is the SMILES notation for 2-[4-(3-methylpyridine-2-carbonyl)piperazin-1-yl]butanenitrile?
The canonical SMILES for 2-[4-(3-methylpyridine-2-carbonyl)piperazin-1-yl]butanenitrile is CCC(C#N)N1CCN(C(=O)c2ncccc2C)CC1.
What is the InChIKey of 2-[4-(3-methylpyridine-2-carbonyl)piperazin-1-yl]butanenitrile?
The InChIKey is AIVJDABFCSHNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-13(11-16)18-7-9-19(10-8-18)15(20)14-12(2)5-4-6-17-14/h4-6,13H,3,7-10H2,1-2H3.
What are the key properties of 2-[4-(3-methylpyridine-2-carbonyl)piperazin-1-yl]butanenitrile?
2-[4-(3-methylpyridine-2-carbonyl)piperazin-1-yl]butanenitrile has a molecular weight of 272.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylpyridine-2-carbonyl)piperazin-1-yl]butanenitrile is sourced from PubChem (CID 63337428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).