(3-chloropyrazin-2-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone

C17H18ClN3O — CID 154856684

IUPAC(3-chloropyrazin-2-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone
SMILESCC1CC(c2ccccc2)CCN1C(=O)c1nccnc1Cl
InChIInChI=1S/C17H18ClN3O/c1-12-11-14(13-5-3-2-4-6-13)7-10-21(12)17(22)15-16(18)20-9-8-19-15/h2-6,8-9,12,14H,7,10-11H2,1H3
InChIKeyWKZCPHGACJHADC-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.54
Rot. Bonds2

About (3-chloropyrazin-2-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone

(3-chloropyrazin-2-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone (PubChem CID 154856684) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is (3-chloropyrazin-2-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloropyrazin-2-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone
PubChem CID154856684
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name(3-chloropyrazin-2-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone
SMILESCC1CC(c2ccccc2)CCN1C(=O)c1nccnc1Cl
InChIInChI=1S/C17H18ClN3O/c1-12-11-14(13-5-3-2-4-6-13)7-10-21(12)17(22)15-16(18)20-9-8-19-15/h2-6,8-9,12,14H,7,10-11H2,1H3
InChIKeyWKZCPHGACJHADC-UHFFFAOYSA-N
XLogP3.54
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloropyrazin-2-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (3-chloropyrazin-2-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone (CID 154856684) is (3-chloropyrazin-2-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-chloropyrazin-2-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (3-chloropyrazin-2-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone is CC1CC(c2ccccc2)CCN1C(=O)c1nccnc1Cl.
What is the InChIKey of (3-chloropyrazin-2-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone?
The InChIKey is WKZCPHGACJHADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-12-11-14(13-5-3-2-4-6-13)7-10-21(12)17(22)15-16(18)20-9-8-19-15/h2-6,8-9,12,14H,7,10-11H2,1H3.
What are the key properties of (3-chloropyrazin-2-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone?
(3-chloropyrazin-2-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone has a molecular weight of 315.80 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropyrazin-2-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 154856684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).