3-methyl-1-[(3S)-3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]butan-1-one

C20H26N4O2 — CID 95843540

IUPAC3-methyl-1-[(3S)-3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]butan-1-one
SMILESCc1ncccc1Oc1nccnc1[C@H]1CCCN(C(=O)CC(C)C)C1
InChIInChI=1S/C20H26N4O2/c1-14(2)12-18(25)24-11-5-6-16(13-24)19-20(23-10-9-22-19)26-17-7-4-8-21-15(17)3/h4,7-10,14,16H,5-6,11-13H2,1-3H3/t16-/m0/s1
InChIKeyNOHUPUKBWFOVIF-INIZCTEOSA-N
MW354.45 g/mol
LogP3.72
Rot. Bonds5

About 3-methyl-1-[(3S)-3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]butan-1-one

3-methyl-1-[(3S)-3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]butan-1-one (PubChem CID 95843540) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-methyl-1-[(3S)-3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[(3S)-3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]butan-1-one
PubChem CID95843540
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-methyl-1-[(3S)-3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]butan-1-one
SMILESCc1ncccc1Oc1nccnc1[C@H]1CCCN(C(=O)CC(C)C)C1
InChIInChI=1S/C20H26N4O2/c1-14(2)12-18(25)24-11-5-6-16(13-24)19-20(23-10-9-22-19)26-17-7-4-8-21-15(17)3/h4,7-10,14,16H,5-6,11-13H2,1-3H3/t16-/m0/s1
InChIKeyNOHUPUKBWFOVIF-INIZCTEOSA-N
XLogP3.72
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110256201
2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823499
2-[(2-methyl-3-pyridinyl)oxy]-3-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazine
CID 110256460
2-[(2-methyl-3-pyridinyl)oxy]-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine
CID 95822678
2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine
CID 95843459
2-chloro-1-[3-[3-(2-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175658243
1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821902
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]methanone
CID 95843926
3-chloro-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 175656949
3-methoxy-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110256428
2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823413
2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95823252

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3S)-3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[(3S)-3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]butan-1-one (CID 95843540) is 3-methyl-1-[(3S)-3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[(3S)-3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[(3S)-3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]butan-1-one is Cc1ncccc1Oc1nccnc1[C@H]1CCCN(C(=O)CC(C)C)C1.
What is the InChIKey of 3-methyl-1-[(3S)-3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]butan-1-one?
The InChIKey is NOHUPUKBWFOVIF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14(2)12-18(25)24-11-5-6-16(13-24)19-20(23-10-9-22-19)26-17-7-4-8-21-15(17)3/h4,7-10,14,16H,5-6,11-13H2,1-3H3/t16-/m0/s1.
What are the key properties of 3-methyl-1-[(3S)-3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]butan-1-one?
3-methyl-1-[(3S)-3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]butan-1-one has a molecular weight of 354.45 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3S)-3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 95843540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).