1-[4-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone

C20H22N4O2 — CID 109155110

IUPAC1-[4-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(C(=O)N3CCc4ccccc43)cn2)CC1
InChIInChI=1S/C20H22N4O2/c1-15(25)22-10-12-23(13-11-22)19-7-6-17(14-21-19)20(26)24-9-8-16-4-2-3-5-18(16)24/h2-7,14H,8-13H2,1H3
InChIKeyOQNSEXBAFDKLGJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.95
Rot. Bonds2

About 1-[4-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone

1-[4-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 109155110) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[4-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID109155110
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-[4-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(C(=O)N3CCc4ccccc43)cn2)CC1
InChIInChI=1S/C20H22N4O2/c1-15(25)22-10-12-23(13-11-22)19-7-6-17(14-21-19)20(26)24-9-8-16-4-2-3-5-18(16)24/h2-7,14H,8-13H2,1H3
InChIKeyOQNSEXBAFDKLGJ-UHFFFAOYSA-N
XLogP1.95
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[5-(2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 109254794
methyl 2-[1-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanoate
CID 133444559
N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109162452
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154550
2,3-dihydroindol-1-yl-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230309
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109154697
2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone
CID 97017175
2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone
CID 133439711
3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone
CID 63972350
1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 109155101
[4-(2-fluorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84571000
[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate
CID 578309

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone (CID 109155110) is 1-[4-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(C(=O)N3CCc4ccccc43)cn2)CC1.
What is the InChIKey of 1-[4-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is OQNSEXBAFDKLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15(25)22-10-12-23(13-11-22)19-7-6-17(14-21-19)20(26)24-9-8-16-4-2-3-5-18(16)24/h2-7,14H,8-13H2,1H3.
What are the key properties of 1-[4-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 350.42 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109155110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).