(3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone

C11H15N3O — CID 130516301

IUPAC(3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone
SMILESCC1CNCCC1C(=O)c1cnccn1
InChIInChI=1S/C11H15N3O/c1-8-6-12-3-2-9(8)11(15)10-7-13-4-5-14-10/h4-5,7-9,12H,2-3,6H2,1H3
InChIKeyBMZAFDSLVDZFKE-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.90
Rot. Bonds2

About (3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone

(3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone (PubChem CID 130516301) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone
PubChem CID130516301
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone
SMILESCC1CNCCC1C(=O)c1cnccn1
InChIInChI=1S/C11H15N3O/c1-8-6-12-3-2-9(8)11(15)10-7-13-4-5-14-10/h4-5,7-9,12H,2-3,6H2,1H3
InChIKeyBMZAFDSLVDZFKE-UHFFFAOYSA-N
XLogP0.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyrazin-2-yl(pyrrolidin-3-yl)methanone
CID 116568351
N-(3-methylpiperidin-4-yl)pyrazine-2-carboxamide
CID 120556268
(1-methylimidazol-4-yl)-(3-methylpiperidin-4-yl)methanone
CID 130516291
isoquinolin-5-yl-(3-methylpiperidin-4-yl)methanone
CID 114278955
(4-methylcyclohexyl)-pyrazin-2-ylmethanone
CID 63969012
2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrazin-2-ylethanone
CID 71641602
(2-methylpiperazin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71639489
N-methyl-N-piperidin-4-ylpyrazine-2-carboxamide
CID 43602062
2-piperidin-4-yl-1-pyrazin-2-ylethanone
CID 116559954
(3-methylpiperidin-4-yl)-(2,4,5-trimethylphenyl)methanone
CID 114278961
1-pyrazin-2-yl-2-pyrrolidin-3-yloxyethanone;hydrochloride
CID 71645191
1-pyrazin-2-yl-2-[(3R)-pyrrolidin-3-yl]oxyethanone;hydrochloride
CID 71645143

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone?
The IUPAC name of (3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone (CID 130516301) is (3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone?
The canonical SMILES for (3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone is CC1CNCCC1C(=O)c1cnccn1.
What is the InChIKey of (3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone?
The InChIKey is BMZAFDSLVDZFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-6-12-3-2-9(8)11(15)10-7-13-4-5-14-10/h4-5,7-9,12H,2-3,6H2,1H3.
What are the key properties of (3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone?
(3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone has a molecular weight of 205.26 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 130516301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).