1-[4-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]piperidin-1-yl]ethanone

C23H30N4O2 — CID 95819344

IUPAC1-[4-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCOc1cccc(-c2nccnc2[C@@H]2CCCN(C3CCN(C(C)=O)CC3)C2)c1
InChIInChI=1S/C23H30N4O2/c1-17(28)26-13-8-20(9-14-26)27-12-4-6-19(16-27)23-22(24-10-11-25-23)18-5-3-7-21(15-18)29-2/h3,5,7,10-11,15,19-20H,4,6,8-9,12-14,16H2,1-2H3/t19-/m1/s1
InChIKeyHGGBIZOGTUWEQA-LJQANCHMSA-N
MW394.52 g/mol
LogP3.34
Rot. Bonds4

About 1-[4-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]piperidin-1-yl]ethanone

1-[4-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 95819344) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[4-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]piperidin-1-yl]ethanone
PubChem CID95819344
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-[4-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCOc1cccc(-c2nccnc2[C@@H]2CCCN(C3CCN(C(C)=O)CC3)C2)c1
InChIInChI=1S/C23H30N4O2/c1-17(28)26-13-8-20(9-14-26)27-12-4-6-19(16-27)23-22(24-10-11-25-23)18-5-3-7-21(15-18)29-2/h3,5,7,10-11,15,19-20H,4,6,8-9,12-14,16H2,1-2H3/t19-/m1/s1
InChIKeyHGGBIZOGTUWEQA-LJQANCHMSA-N
XLogP3.34
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819187
[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818963
[(3S)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95819273
2-(3-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)pyrazine
CID 110254777
1-[3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110255007
2-[(3S)-1-cyclopentylpiperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine
CID 95818569
1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 110089878
N-[3-[3-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 110254948
cyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819177
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818691
N-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95819324
N-[3-[3-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95819133

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]piperidin-1-yl]ethanone (CID 95819344) is 1-[4-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]piperidin-1-yl]ethanone is COc1cccc(-c2nccnc2[C@@H]2CCCN(C3CCN(C(C)=O)CC3)C2)c1.
What is the InChIKey of 1-[4-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is HGGBIZOGTUWEQA-LJQANCHMSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17(28)26-13-8-20(9-14-26)27-12-4-6-19(16-27)23-22(24-10-11-25-23)18-5-3-7-21(15-18)29-2/h3,5,7,10-11,15,19-20H,4,6,8-9,12-14,16H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[4-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]piperidin-1-yl]ethanone?
1-[4-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 394.52 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95819344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).