1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone

C15H20N2O — CID 14931742

IUPAC1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C2CNc3ccccc32)CC1
InChIInChI=1S/C15H20N2O/c1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15/h2-5,12,14,16H,6-10H2,1H3
InChIKeySKEOXMJYCISWQO-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.45
Rot. Bonds1

About 1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone

1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone (PubChem CID 14931742) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone
PubChem CID14931742
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C2CNc3ccccc32)CC1
InChIInChI=1S/C15H20N2O/c1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15/h2-5,12,14,16H,6-10H2,1H3
InChIKeySKEOXMJYCISWQO-UHFFFAOYSA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone (CID 14931742) is 1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C2CNc3ccccc32)CC1.
What is the InChIKey of 1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is SKEOXMJYCISWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15/h2-5,12,14,16H,6-10H2,1H3.
What are the key properties of 1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone?
1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 244.34 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 14931742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).