(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone

C13H19N3O2 — CID 110744031

IUPAC(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
SMILESCC(C)OC1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C13H19N3O2/c1-10(2)18-11-3-7-16(8-4-11)13(17)12-9-14-5-6-15-12/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyWKZDHHPTFZSPLA-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.51
Rot. Bonds3

About (4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone

(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone (PubChem CID 110744031) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
PubChem CID110744031
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
SMILESCC(C)OC1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C13H19N3O2/c1-10(2)18-11-3-7-16(8-4-11)13(17)12-9-14-5-6-15-12/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyWKZDHHPTFZSPLA-UHFFFAOYSA-N
XLogP1.51
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 165419586
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 91626934
2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108569993
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129492855
[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 121200756
2-methylpropyl 4-(pyrazine-2-carbonyl)piperazine-1-carboxylate
CID 108569986
[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95811364
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
2,2-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 110821253
1-[4-[4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 110816085
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274
[4-[4-(2,3-dihydropyrrol-1-yl)phenoxy]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 141336866

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone?
The IUPAC name of (4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone (CID 110744031) is (4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone?
The canonical SMILES for (4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone is CC(C)OC1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of (4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone?
The InChIKey is WKZDHHPTFZSPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(2)18-11-3-7-16(8-4-11)13(17)12-9-14-5-6-15-12/h5-6,9-11H,3-4,7-8H2,1-2H3.
What are the key properties of (4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone?
(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone has a molecular weight of 249.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 110744031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).