1-(2-methoxypyridine-3-carbonyl)piperazine-2-carbonitrile

C12H14N4O2 — CID 79086365

IUPAC1-(2-methoxypyridine-3-carbonyl)piperazine-2-carbonitrile
SMILESCOc1ncccc1C(=O)N1CCNCC1C#N
InChIInChI=1S/C12H14N4O2/c1-18-11-10(3-2-4-15-11)12(17)16-6-5-14-8-9(16)7-13/h2-4,9,14H,5-6,8H2,1H3
InChIKeyFBOGTFQKCMLTLY-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.03
Rot. Bonds2

About 1-(2-methoxypyridine-3-carbonyl)piperazine-2-carbonitrile

1-(2-methoxypyridine-3-carbonyl)piperazine-2-carbonitrile (PubChem CID 79086365) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(2-methoxypyridine-3-carbonyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxypyridine-3-carbonyl)piperazine-2-carbonitrile
PubChem CID79086365
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-(2-methoxypyridine-3-carbonyl)piperazine-2-carbonitrile
SMILESCOc1ncccc1C(=O)N1CCNCC1C#N
InChIInChI=1S/C12H14N4O2/c1-18-11-10(3-2-4-15-11)12(17)16-6-5-14-8-9(16)7-13/h2-4,9,14H,5-6,8H2,1H3
InChIKeyFBOGTFQKCMLTLY-UHFFFAOYSA-N
XLogP0.03
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxybenzoyl)piperazine-2-carbonitrile
CID 79085900
1-(quinoline-6-carbonyl)piperazine-2-carbonitrile
CID 79086471
[4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 66201560
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-methoxy-3-pyridinyl)methanone
CID 66211207
methyl 2-cyanopiperazine-1-carboxylate
CID 79091281
1-(3-fluoro-4-methoxybenzoyl)piperazine-2-carbonitrile
CID 79086554
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 102737995
1-(4-fluoro-2-hydroxybenzoyl)piperazine-2-carbonitrile
CID 107015971
methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 43423446
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
1-(4-ethylbenzoyl)piperazine-2-carbonitrile
CID 79085258
methyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate
CID 78925496

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypyridine-3-carbonyl)piperazine-2-carbonitrile?
The IUPAC name of 1-(2-methoxypyridine-3-carbonyl)piperazine-2-carbonitrile (CID 79086365) is 1-(2-methoxypyridine-3-carbonyl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(2-methoxypyridine-3-carbonyl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(2-methoxypyridine-3-carbonyl)piperazine-2-carbonitrile is COc1ncccc1C(=O)N1CCNCC1C#N.
What is the InChIKey of 1-(2-methoxypyridine-3-carbonyl)piperazine-2-carbonitrile?
The InChIKey is FBOGTFQKCMLTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-11-10(3-2-4-15-11)12(17)16-6-5-14-8-9(16)7-13/h2-4,9,14H,5-6,8H2,1H3.
What are the key properties of 1-(2-methoxypyridine-3-carbonyl)piperazine-2-carbonitrile?
1-(2-methoxypyridine-3-carbonyl)piperazine-2-carbonitrile has a molecular weight of 246.27 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypyridine-3-carbonyl)piperazine-2-carbonitrile is sourced from PubChem (CID 79086365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).