2-[2-oxo-5-(piperazin-1-ylmethyl)-1-pyridinyl]acetonitrile

C12H16N4O — CID 82510197

IUPAC2-[2-oxo-5-(piperazin-1-ylmethyl)-1-pyridinyl]acetonitrile
SMILESN#CCn1cc(CN2CCNCC2)ccc1=O
InChIInChI=1S/C12H16N4O/c13-3-6-16-10-11(1-2-12(16)17)9-15-7-4-14-5-8-15/h1-2,10,14H,4-9H2
InChIKeyWLJBZXHRXMOZHR-UHFFFAOYSA-N
MW232.29 g/mol
LogP-0.22
Rot. Bonds3

About 2-[2-oxo-5-(piperazin-1-ylmethyl)-1-pyridinyl]acetonitrile

2-[2-oxo-5-(piperazin-1-ylmethyl)-1-pyridinyl]acetonitrile (PubChem CID 82510197) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[2-oxo-5-(piperazin-1-ylmethyl)-1-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-oxo-5-(piperazin-1-ylmethyl)-1-pyridinyl]acetonitrile
PubChem CID82510197
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-[2-oxo-5-(piperazin-1-ylmethyl)-1-pyridinyl]acetonitrile
SMILESN#CCn1cc(CN2CCNCC2)ccc1=O
InChIInChI=1S/C12H16N4O/c13-3-6-16-10-11(1-2-12(16)17)9-15-7-4-14-5-8-15/h1-2,10,14H,4-9H2
InChIKeyWLJBZXHRXMOZHR-UHFFFAOYSA-N
XLogP-0.22
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(piperazin-1-ylmethyl)-1-propan-2-ylpyridin-2-one
CID 82510622
4-(piperazin-1-ylmethyl)-1H-pyridin-2-one
CID 82505119
[4-(piperazin-1-ylmethyl)phenyl]phosphane
CID 21334669
1-[(1-methylpyrrol-3-yl)methyl]piperazine
CID 82280746
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841
3-[4-(piperazin-1-ylmethyl)phenyl]propanal
CID 117336777
2-imidazolidin-1-ylacetonitrile
CID 55287724
azane;1-benzylpiperazine
CID 174866973
2-[3-(1,4-diazepan-1-ylmethyl)phenyl]acetonitrile
CID 82135654
dizinc bis(1-[[4-(1,4,10-triaza-7-azanidacyclododec-1-ylmethyl)phenyl]methyl]-1,4,10-triaza-7-azanidacyclododecane)
CID 57372956
1-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 19618115
1-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 15634377

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(piperazin-1-ylmethyl)-1-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-oxo-5-(piperazin-1-ylmethyl)-1-pyridinyl]acetonitrile (CID 82510197) is 2-[2-oxo-5-(piperazin-1-ylmethyl)-1-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-oxo-5-(piperazin-1-ylmethyl)-1-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-oxo-5-(piperazin-1-ylmethyl)-1-pyridinyl]acetonitrile is N#CCn1cc(CN2CCNCC2)ccc1=O.
What is the InChIKey of 2-[2-oxo-5-(piperazin-1-ylmethyl)-1-pyridinyl]acetonitrile?
The InChIKey is WLJBZXHRXMOZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-3-6-16-10-11(1-2-12(16)17)9-15-7-4-14-5-8-15/h1-2,10,14H,4-9H2.
What are the key properties of 2-[2-oxo-5-(piperazin-1-ylmethyl)-1-pyridinyl]acetonitrile?
2-[2-oxo-5-(piperazin-1-ylmethyl)-1-pyridinyl]acetonitrile has a molecular weight of 232.29 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(piperazin-1-ylmethyl)-1-pyridinyl]acetonitrile is sourced from PubChem (CID 82510197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).