1-[1-(1,2-dihydropyrazin-3-ylmethyl)piperidin-4-yl]-2-phenylethanone

C18H23N3O — CID 141073804

IUPAC1-[1-(1,2-dihydropyrazin-3-ylmethyl)piperidin-4-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)C1CCN(CC2=NC=CNC2)CC1
InChIInChI=1S/C18H23N3O/c22-18(12-15-4-2-1-3-5-15)16-6-10-21(11-7-16)14-17-13-19-8-9-20-17/h1-5,8-9,16,19H,6-7,10-14H2
InChIKeyXWZYVOUWUMWKTI-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.03
Rot. Bonds5

About 1-[1-(1,2-dihydropyrazin-3-ylmethyl)piperidin-4-yl]-2-phenylethanone

1-[1-(1,2-dihydropyrazin-3-ylmethyl)piperidin-4-yl]-2-phenylethanone (PubChem CID 141073804) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[1-(1,2-dihydropyrazin-3-ylmethyl)piperidin-4-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[1-(1,2-dihydropyrazin-3-ylmethyl)piperidin-4-yl]-2-phenylethanone
PubChem CID141073804
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-[1-(1,2-dihydropyrazin-3-ylmethyl)piperidin-4-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)C1CCN(CC2=NC=CNC2)CC1
InChIInChI=1S/C18H23N3O/c22-18(12-15-4-2-1-3-5-15)16-6-10-21(11-7-16)14-17-13-19-8-9-20-17/h1-5,8-9,16,19H,6-7,10-14H2
InChIKeyXWZYVOUWUMWKTI-UHFFFAOYSA-N
XLogP2.03
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2-dihydropyrazin-3-ylmethyl)piperidin-4-yl]-2-phenylethanone?
The IUPAC name of 1-[1-(1,2-dihydropyrazin-3-ylmethyl)piperidin-4-yl]-2-phenylethanone (CID 141073804) is 1-[1-(1,2-dihydropyrazin-3-ylmethyl)piperidin-4-yl]-2-phenylethanone.
What is the SMILES notation for 1-[1-(1,2-dihydropyrazin-3-ylmethyl)piperidin-4-yl]-2-phenylethanone?
The canonical SMILES for 1-[1-(1,2-dihydropyrazin-3-ylmethyl)piperidin-4-yl]-2-phenylethanone is O=C(Cc1ccccc1)C1CCN(CC2=NC=CNC2)CC1.
What is the InChIKey of 1-[1-(1,2-dihydropyrazin-3-ylmethyl)piperidin-4-yl]-2-phenylethanone?
The InChIKey is XWZYVOUWUMWKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-18(12-15-4-2-1-3-5-15)16-6-10-21(11-7-16)14-17-13-19-8-9-20-17/h1-5,8-9,16,19H,6-7,10-14H2.
What are the key properties of 1-[1-(1,2-dihydropyrazin-3-ylmethyl)piperidin-4-yl]-2-phenylethanone?
1-[1-(1,2-dihydropyrazin-3-ylmethyl)piperidin-4-yl]-2-phenylethanone has a molecular weight of 297.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2-dihydropyrazin-3-ylmethyl)piperidin-4-yl]-2-phenylethanone is sourced from PubChem (CID 141073804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).