2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanenitrile

C15H22N4O — CID 82897600

IUPAC2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(CCn2ccccc2=O)CC1
InChIInChI=1S/C15H22N4O/c1-2-14(13-16)18-10-7-17(8-11-18)9-12-19-6-4-3-5-15(19)20/h3-6,14H,2,7-12H2,1H3
InChIKeyWGUCUUOIVSYVEZ-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.77
Rot. Bonds5

About 2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanenitrile

2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanenitrile (PubChem CID 82897600) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanenitrile
PubChem CID82897600
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(CCn2ccccc2=O)CC1
InChIInChI=1S/C15H22N4O/c1-2-14(13-16)18-10-7-17(8-11-18)9-12-19-6-4-3-5-15(19)20/h3-6,14H,2,7-12H2,1H3
InChIKeyWGUCUUOIVSYVEZ-UHFFFAOYSA-N
XLogP0.77
TPSA52.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanethioamide
CID 82898823
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]butanenitrile
CID 63339911
1-[2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one
CID 82898587
1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 82897279
2-[4-(3-phenylprop-2-ynyl)piperazin-1-yl]butanenitrile
CID 63339568
1-[2-[4-(2-bromoethyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one
CID 82907733
1-[2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82897001
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanenitrile
CID 55211744
2-(4-benzoylpiperazin-1-yl)butanenitrile
CID 63337423
1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one
CID 82907199
1-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]pyridin-2-one
CID 103576927
1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82898404

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanenitrile?
The IUPAC name of 2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanenitrile (CID 82897600) is 2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanenitrile.
What is the SMILES notation for 2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanenitrile?
The canonical SMILES for 2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanenitrile is CCC(C#N)N1CCN(CCn2ccccc2=O)CC1.
What is the InChIKey of 2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanenitrile?
The InChIKey is WGUCUUOIVSYVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-14(13-16)18-10-7-17(8-11-18)9-12-19-6-4-3-5-15(19)20/h3-6,14H,2,7-12H2,1H3.
What are the key properties of 2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanenitrile?
2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanenitrile has a molecular weight of 274.37 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanenitrile is sourced from PubChem (CID 82897600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).