2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile

C15H26N4O — CID 63339094

IUPAC2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H26N4O/c1-2-14(12-16)18-10-8-17(9-11-18)13-15(20)19-6-4-3-5-7-19/h14H,2-11,13H2,1H3
InChIKeyVBLZIWGDLDGVGI-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.92
Rot. Bonds4

About 2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile

2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile (PubChem CID 63339094) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile
PubChem CID63339094
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H26N4O/c1-2-14(12-16)18-10-8-17(9-11-18)13-15(20)19-6-4-3-5-7-19/h14H,2-11,13H2,1H3
InChIKeyVBLZIWGDLDGVGI-UHFFFAOYSA-N
XLogP0.92
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide
CID 63339132
2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 20613836
propan-2-yl 2-[4-(1-cyanopropyl)piperazin-1-yl]acetate
CID 63339566
2-(4-pentanoylpiperazin-1-yl)butanenitrile
CID 63337468
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 62309888
2-[4-(2,2-difluoroethyl)piperazin-1-yl]butanenitrile
CID 55219345
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 63339432
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62310681
2-[4-(1-methylcyclohexanecarbonyl)piperazin-1-yl]butanenitrile
CID 106827291
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]butanenitrile
CID 65213503
ethyl (2R)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pentanoate
CID 95353154

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile?
The IUPAC name of 2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile (CID 63339094) is 2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile.
What is the SMILES notation for 2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile?
The canonical SMILES for 2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile is CCC(C#N)N1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile?
The InChIKey is VBLZIWGDLDGVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-14(12-16)18-10-8-17(9-11-18)13-15(20)19-6-4-3-5-7-19/h14H,2-11,13H2,1H3.
What are the key properties of 2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile?
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile has a molecular weight of 278.40 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile is sourced from PubChem (CID 63339094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).