(5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone

C12H16ClN3O — CID 103803161

IUPAC(5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cnc(Cl)cn2)C1
InChIInChI=1S/C12H16ClN3O/c1-8-3-9(2)7-16(6-8)12(17)10-4-15-11(13)5-14-10/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyYCVPJUMRIMLEIV-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.25
Rot. Bonds1

About (5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone

(5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 103803161) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is (5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID103803161
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name(5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cnc(Cl)cn2)C1
InChIInChI=1S/C12H16ClN3O/c1-8-3-9(2)7-16(6-8)12(17)10-4-15-11(13)5-14-10/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyYCVPJUMRIMLEIV-UHFFFAOYSA-N
XLogP2.25
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone (CID 103803161) is (5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2cnc(Cl)cn2)C1.
What is the InChIKey of (5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is YCVPJUMRIMLEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-8-3-9(2)7-16(6-8)12(17)10-4-15-11(13)5-14-10/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of (5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
(5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 253.73 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 103803161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).