1-[3-(1-methylpiperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-f]indol-5-yl]ethanone

C18H23N3O — CID 22462547

IUPAC1-[3-(1-methylpiperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-f]indol-5-yl]ethanone
SMILESCC(=O)N1CCc2cc3[nH]cc(C4CCN(C)CC4)c3cc21
InChIInChI=1S/C18H23N3O/c1-12(22)21-8-5-14-9-17-15(10-18(14)21)16(11-19-17)13-3-6-20(2)7-4-13/h9-11,13,19H,3-8H2,1-2H3
InChIKeyUQEVYDDWAXZXIE-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.89
Rot. Bonds1

About 1-[3-(1-methylpiperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-f]indol-5-yl]ethanone

1-[3-(1-methylpiperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-f]indol-5-yl]ethanone (PubChem CID 22462547) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[3-(1-methylpiperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-f]indol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(1-methylpiperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-f]indol-5-yl]ethanone
PubChem CID22462547
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-[3-(1-methylpiperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-f]indol-5-yl]ethanone
SMILESCC(=O)N1CCc2cc3[nH]cc(C4CCN(C)CC4)c3cc21
InChIInChI=1S/C18H23N3O/c1-12(22)21-8-5-14-9-17-15(10-18(14)21)16(11-19-17)13-3-6-20(2)7-4-13/h9-11,13,19H,3-8H2,1-2H3
InChIKeyUQEVYDDWAXZXIE-UHFFFAOYSA-N
XLogP2.89
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpiperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-f]indol-5-yl]ethanone?
The IUPAC name of 1-[3-(1-methylpiperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-f]indol-5-yl]ethanone (CID 22462547) is 1-[3-(1-methylpiperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-f]indol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(1-methylpiperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-f]indol-5-yl]ethanone?
The canonical SMILES for 1-[3-(1-methylpiperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-f]indol-5-yl]ethanone is CC(=O)N1CCc2cc3[nH]cc(C4CCN(C)CC4)c3cc21.
What is the InChIKey of 1-[3-(1-methylpiperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-f]indol-5-yl]ethanone?
The InChIKey is UQEVYDDWAXZXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12(22)21-8-5-14-9-17-15(10-18(14)21)16(11-19-17)13-3-6-20(2)7-4-13/h9-11,13,19H,3-8H2,1-2H3.
What are the key properties of 1-[3-(1-methylpiperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-f]indol-5-yl]ethanone?
1-[3-(1-methylpiperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-f]indol-5-yl]ethanone has a molecular weight of 297.40 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpiperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-f]indol-5-yl]ethanone is sourced from PubChem (CID 22462547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).