2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one

C19H23N3O2 — CID 71799224

IUPAC2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
SMILESCCC(C(=O)N1CCC(Oc2cnccn2)CC1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-2-17(15-6-4-3-5-7-15)19(23)22-12-8-16(9-13-22)24-18-14-20-10-11-21-18/h3-7,10-11,14,16-17H,2,8-9,12-13H2,1H3
InChIKeyDZRDPOPBHXRNPC-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.04
Rot. Bonds5

About 2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one

2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one (PubChem CID 71799224) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
PubChem CID71799224
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
SMILESCCC(C(=O)N1CCC(Oc2cnccn2)CC1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-2-17(15-6-4-3-5-7-15)19(23)22-12-8-16(9-13-22)24-18-14-20-10-11-21-18/h3-7,10-11,14,16-17H,2,8-9,12-13H2,1H3
InChIKeyDZRDPOPBHXRNPC-UHFFFAOYSA-N
XLogP3.04
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
CID 90558966
2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one
CID 91815923
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one
CID 90566394
(2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one
CID 97427079
(4-pyrazin-2-yloxypiperidin-1-yl)-pyridin-2-ylmethanone
CID 71799257
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
3-[(3R)-1-[(2R)-2-phenylbutanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100754753
benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate
CID 90636253
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871
3-chloro-1-(4-pyrazin-2-yloxypiperidin-1-yl)propan-1-one
CID 90558978
N-(2-methoxyphenyl)-4-pyrazin-2-yloxypiperidine-1-carboxamide
CID 90559095
4-chloro-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
CID 90558979

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one?
The IUPAC name of 2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one (CID 71799224) is 2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one.
What is the SMILES notation for 2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one?
The canonical SMILES for 2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one is CCC(C(=O)N1CCC(Oc2cnccn2)CC1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one?
The InChIKey is DZRDPOPBHXRNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-17(15-6-4-3-5-7-15)19(23)22-12-8-16(9-13-22)24-18-14-20-10-11-21-18/h3-7,10-11,14,16-17H,2,8-9,12-13H2,1H3.
What are the key properties of 2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one?
2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one has a molecular weight of 325.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one is sourced from PubChem (CID 71799224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).