[4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone

C18H21N3O2 — CID 53150710

IUPAC[4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(CCOc2ccccc2)CC1
InChIInChI=1S/C18H21N3O2/c22-18(17-14-19-9-10-20-17)21-11-6-15(7-12-21)8-13-23-16-4-2-1-3-5-16/h1-5,9-10,14-15H,6-8,11-13H2
InChIKeyITLIJQHUQBOCRB-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.80
Rot. Bonds5

About [4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone

[4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 53150710) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is [4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID53150710
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name[4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(CCOc2ccccc2)CC1
InChIInChI=1S/C18H21N3O2/c22-18(17-14-19-9-10-20-17)21-11-6-15(7-12-21)8-13-23-16-4-2-1-3-5-16/h1-5,9-10,14-15H,6-8,11-13H2
InChIKeyITLIJQHUQBOCRB-UHFFFAOYSA-N
XLogP2.80
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 121200756
1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 53150715
(6-chloro-3-pyridinyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53150688
[4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 53150724
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037966
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 115746589
(5-chlorothiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53150692
(5-methylthiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53150687
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
tert-butyl N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]carbamate
CID 71632480
3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one
CID 53150681
1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037973

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone (CID 53150710) is [4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC(CCOc2ccccc2)CC1.
What is the InChIKey of [4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is ITLIJQHUQBOCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(17-14-19-9-10-20-17)21-11-6-15(7-12-21)8-13-23-16-4-2-1-3-5-16/h1-5,9-10,14-15H,6-8,11-13H2.
What are the key properties of [4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 311.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 53150710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).