1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one

C18H21N3O2 — CID 95822427

IUPAC1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2cncc(Oc3ccccc3)n2)CC1
InChIInChI=1S/C18H21N3O2/c1-2-18(22)21-10-8-14(9-11-21)16-12-19-13-17(20-16)23-15-6-4-3-5-7-15/h3-7,12-14H,2,8-11H2,1H3
InChIKeyMQRLMCDLPWMPPI-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.38
Rot. Bonds4

About 1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one

1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 95822427) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
PubChem CID95822427
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2cncc(Oc3ccccc3)n2)CC1
InChIInChI=1S/C18H21N3O2/c1-2-18(22)21-10-8-14(9-11-21)16-12-19-13-17(20-16)23-15-6-4-3-5-7-15/h3-7,12-14H,2,8-11H2,1H3
InChIKeyMQRLMCDLPWMPPI-UHFFFAOYSA-N
XLogP3.38
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 95822603
1-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 110256535
N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110256642
1-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95821984
1-morpholin-4-yl-2-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
CID 95843376
N-methyl-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 110096056
N-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 124972275
(4-methyl-1,3-oxazol-5-yl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124989570
3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 110256583
oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95823108
(6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124990884
[4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95823156

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one (CID 95822427) is 1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(c2cncc(Oc3ccccc3)n2)CC1.
What is the InChIKey of 1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is MQRLMCDLPWMPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-18(22)21-10-8-14(9-11-21)16-12-19-13-17(20-16)23-15-6-4-3-5-7-15/h3-7,12-14H,2,8-11H2,1H3.
What are the key properties of 1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one?
1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 311.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95822427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).