3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one

C20H25N3O3 — CID 124940932

IUPAC3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC[C@H](c2cncc(Oc3ccccc3C)n2)C1
InChIInChI=1S/C20H25N3O3/c1-15-6-3-4-8-18(15)26-19-13-21-12-17(22-19)16-7-5-10-23(14-16)20(24)9-11-25-2/h3-4,6,8,12-13,16H,5,7,9-11,14H2,1-2H3/t16-/m0/s1
InChIKeyAJQPKBFVZLDZSD-INIZCTEOSA-N
MW355.44 g/mol
LogP3.32
Rot. Bonds6

About 3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one

3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 124940932) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID124940932
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC[C@H](c2cncc(Oc3ccccc3C)n2)C1
InChIInChI=1S/C20H25N3O3/c1-15-6-3-4-8-18(15)26-19-13-21-12-17(22-19)16-7-5-10-23(14-16)20(24)9-11-25-2/h3-4,6,8,12-13,16H,5,7,9-11,14H2,1-2H3/t16-/m0/s1
InChIKeyAJQPKBFVZLDZSD-INIZCTEOSA-N
XLogP3.32
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822521
2-methoxy-1-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822520
2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823409
[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 110256498
[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 95822780
3-methoxy-1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 95822603
(4-benzyloxan-4-yl)-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 124950943
[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 125024145
2-methoxy-1-[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822522
2-methoxy-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822523
[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
CID 132767401
2,4-dimethoxy-6-[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine
CID 175658467

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one (CID 124940932) is 3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one is COCCC(=O)N1CCC[C@H](c2cncc(Oc3ccccc3C)n2)C1.
What is the InChIKey of 3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is AJQPKBFVZLDZSD-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15-6-3-4-8-18(15)26-19-13-21-12-17(22-19)16-7-5-10-23(14-16)20(24)9-11-25-2/h3-4,6,8,12-13,16H,5,7,9-11,14H2,1-2H3/t16-/m0/s1.
What are the key properties of 3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 355.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124940932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).