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

C14H18N4O — CID 63337295

IUPAC2-[4-(pyridine-3-carbonyl)piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C14H18N4O/c1-2-13(10-15)17-6-8-18(9-7-17)14(19)12-4-3-5-16-11-12/h3-5,11,13H,2,6-9H2,1H3
InChIKeyKVUUMQDUCIFKSJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.14
Rot. Bonds3

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

2-[4-(pyridine-3-carbonyl)piperazin-1-yl]butanenitrile (PubChem CID 63337295) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[4-(pyridine-3-carbonyl)piperazin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-[4-(pyridine-3-carbonyl)piperazin-1-yl]butanenitrile
PubChem CID63337295
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[4-(pyridine-3-carbonyl)piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C14H18N4O/c1-2-13(10-15)17-6-8-18(9-7-17)14(19)12-4-3-5-16-11-12/h3-5,11,13H,2,6-9H2,1H3
InChIKeyKVUUMQDUCIFKSJ-UHFFFAOYSA-N
XLogP1.14
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzoylpiperazin-1-yl)butanenitrile
CID 63337423
2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]butanenitrile
CID 105351139
2-[4-(3-bromobenzoyl)piperazin-1-yl]butanenitrile
CID 63337687
2-[4-(3-methylpyridine-2-carbonyl)piperazin-1-yl]butanenitrile
CID 63337428
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
2-(2-fluorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile
CID 110349545
2-(3-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile
CID 110349906
2-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butanenitrile
CID 63337858
2-[4-(5-fluoropyridine-3-carbonyl)piperazin-1-yl]pentanenitrile
CID 104785831
N-ethyl-N-propan-2-yl-4-(pyridine-3-carbonyl)piperazine-1-carboxamide
CID 75507541
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridine-3-carbonyl)piperazin-1-yl]butanenitrile?
The IUPAC name of 2-[4-(pyridine-3-carbonyl)piperazin-1-yl]butanenitrile (CID 63337295) is 2-[4-(pyridine-3-carbonyl)piperazin-1-yl]butanenitrile.
What is the SMILES notation for 2-[4-(pyridine-3-carbonyl)piperazin-1-yl]butanenitrile?
The canonical SMILES for 2-[4-(pyridine-3-carbonyl)piperazin-1-yl]butanenitrile is CCC(C#N)N1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 2-[4-(pyridine-3-carbonyl)piperazin-1-yl]butanenitrile?
The InChIKey is KVUUMQDUCIFKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-13(10-15)17-6-8-18(9-7-17)14(19)12-4-3-5-16-11-12/h3-5,11,13H,2,6-9H2,1H3.
What are the key properties of 2-[4-(pyridine-3-carbonyl)piperazin-1-yl]butanenitrile?
2-[4-(pyridine-3-carbonyl)piperazin-1-yl]butanenitrile has a molecular weight of 258.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridine-3-carbonyl)piperazin-1-yl]butanenitrile is sourced from PubChem (CID 63337295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).