2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile

C12H14N4O — CID 24710920

IUPAC2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
SMILESCC(=O)N1CCN(c2cc(C#N)ccn2)CC1
InChIInChI=1S/C12H14N4O/c1-10(17)15-4-6-16(7-5-15)12-8-11(9-13)2-3-14-12/h2-3,8H,4-7H2,1H3
InChIKeyVQKPYKKEBRBJOS-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.62
Rot. Bonds1

About 2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile

2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile (PubChem CID 24710920) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
PubChem CID24710920
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
SMILESCC(=O)N1CCN(c2cc(C#N)ccn2)CC1
InChIInChI=1S/C12H14N4O/c1-10(17)15-4-6-16(7-5-15)12-8-11(9-13)2-3-14-12/h2-3,8H,4-7H2,1H3
InChIKeyVQKPYKKEBRBJOS-UHFFFAOYSA-N
XLogP0.62
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 75365577
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 43521668
2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile;hydrochloride
CID 119112261
2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 119112234
2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 167778065
4-(4-cyano-2-pyridinyl)-N-[[(1R,2S)-2-methylcyclopropyl]methyl]piperazine-1-carboxamide
CID 94125172
2-[4-[2-(2-methylphenyl)sulfanylacetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 38261707
2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 95573247
2-[4-[4-(ethylsulfanylmethyl)benzoyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 55890411
2-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 55793953
2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 38261861
2-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 56820315

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile (CID 24710920) is 2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile is CC(=O)N1CCN(c2cc(C#N)ccn2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile?
The InChIKey is VQKPYKKEBRBJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-10(17)15-4-6-16(7-5-15)12-8-11(9-13)2-3-14-12/h2-3,8H,4-7H2,1H3.
What are the key properties of 2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile?
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile has a molecular weight of 230.27 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 24710920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).