2-(2,3-dihydro-1H-inden-5-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone

C20H23N3O — CID 175652303

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCC2)N1CCCC(c2cnccn2)C1
InChIInChI=1S/C20H23N3O/c24-20(12-15-6-7-16-3-1-4-17(16)11-15)23-10-2-5-18(14-23)19-13-21-8-9-22-19/h6-9,11,13,18H,1-5,10,12,14H2
InChIKeyZTRNOPNBUPYCFN-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.91
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone

2-(2,3-dihydro-1H-inden-5-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone (PubChem CID 175652303) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone
PubChem CID175652303
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCC2)N1CCCC(c2cnccn2)C1
InChIInChI=1S/C20H23N3O/c24-20(12-15-6-7-16-3-1-4-17(16)11-15)23-10-2-5-18(14-23)19-13-21-8-9-22-19/h6-9,11,13,18H,1-5,10,12,14H2
InChIKeyZTRNOPNBUPYCFN-UHFFFAOYSA-N
XLogP2.91
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-pyrimidin-4-ylpiperidin-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110114925
2-(2,3-dihydro-1H-inden-5-yl)-1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 96514421
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110767307
2-(2,3-dihydro-1H-inden-5-yl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 94526775
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969
(E)-3-phenyl-1-(3-pyrazin-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 110102492
1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124998813
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110806562
2H-benzotriazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110102495
1,1-dimethyl-3-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-3-yl]urea
CID 139013550
2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 127246094
3-(5-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]propan-1-one
CID 92562739

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone (CID 175652303) is 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone is O=C(Cc1ccc2c(c1)CCC2)N1CCCC(c2cnccn2)C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone?
The InChIKey is ZTRNOPNBUPYCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20(12-15-6-7-16-3-1-4-17(16)11-15)23-10-2-5-18(14-23)19-13-21-8-9-22-19/h6-9,11,13,18H,1-5,10,12,14H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone?
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone has a molecular weight of 321.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 175652303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).