1-[(3R)-3-[6-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]-2-phenoxyethanone

C24H25N3O3 — CID 95819716

IUPAC1-[(3R)-3-[6-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCC[C@@H](c2cncc(-c3ccc(CO)cc3)n2)C1
InChIInChI=1S/C24H25N3O3/c28-16-18-8-10-19(11-9-18)22-13-25-14-23(26-22)20-5-4-12-27(15-20)24(29)17-30-21-6-2-1-3-7-21/h1-3,6-11,13-14,20,28H,4-5,12,15-17H2/t20-/m1/s1
InChIKeyIHQNRYHUDZSNEB-HXUWFJFHSA-N
MW403.48 g/mol
LogP3.42
Rot. Bonds6

About 1-[(3R)-3-[6-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]-2-phenoxyethanone

1-[(3R)-3-[6-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 95819716) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-[(3R)-3-[6-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(3R)-3-[6-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID95819716
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name1-[(3R)-3-[6-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCC[C@@H](c2cncc(-c3ccc(CO)cc3)n2)C1
InChIInChI=1S/C24H25N3O3/c28-16-18-8-10-19(11-9-18)22-13-25-14-23(26-22)20-5-4-12-27(15-20)24(29)17-30-21-6-2-1-3-7-21/h1-3,6-11,13-14,20,28H,4-5,12,15-17H2/t20-/m1/s1
InChIKeyIHQNRYHUDZSNEB-HXUWFJFHSA-N
XLogP3.42
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenoxy)-1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110255416
2-hydroxy-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819992
1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenoxyethanone
CID 95819712
1-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 95809337
1-[3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone
CID 110093304
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95819824
2-hydroxy-1-[3-[6-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 155899913
2-(4-fluorophenoxy)-1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 53137582
2-(4-fluorophenoxy)-1-[(3S)-3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 95093540
[4-[6-(1-benzylpiperidin-3-yl)-2-pyridinyl]phenyl]methanol
CID 110249251
1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110255376

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[6-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(3R)-3-[6-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]-2-phenoxyethanone (CID 95819716) is 1-[(3R)-3-[6-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(3R)-3-[6-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(3R)-3-[6-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCC[C@@H](c2cncc(-c3ccc(CO)cc3)n2)C1.
What is the InChIKey of 1-[(3R)-3-[6-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is IHQNRYHUDZSNEB-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25N3O3/c28-16-18-8-10-19(11-9-18)22-13-25-14-23(26-22)20-5-4-12-27(15-20)24(29)17-30-21-6-2-1-3-7-21/h1-3,6-11,13-14,20,28H,4-5,12,15-17H2/t20-/m1/s1.
What are the key properties of 1-[(3R)-3-[6-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[(3R)-3-[6-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 403.48 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[6-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 95819716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).