1-[2-(3H-indol-2-ylmethyl)piperidin-1-yl]ethanone

C16H20N2O — CID 59857324

IUPAC1-[2-(3H-indol-2-ylmethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1CC1=Nc2ccccc2C1
InChIInChI=1S/C16H20N2O/c1-12(19)18-9-5-4-7-15(18)11-14-10-13-6-2-3-8-16(13)17-14/h2-3,6,8,15H,4-5,7,9-11H2,1H3
InChIKeySCDMUOGHHUHCOV-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.11
Rot. Bonds2

About 1-[2-(3H-indol-2-ylmethyl)piperidin-1-yl]ethanone

1-[2-(3H-indol-2-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 59857324) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[2-(3H-indol-2-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3H-indol-2-ylmethyl)piperidin-1-yl]ethanone
PubChem CID59857324
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[2-(3H-indol-2-ylmethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1CC1=Nc2ccccc2C1
InChIInChI=1S/C16H20N2O/c1-12(19)18-9-5-4-7-15(18)11-14-10-13-6-2-3-8-16(13)17-14/h2-3,6,8,15H,4-5,7,9-11H2,1H3
InChIKeySCDMUOGHHUHCOV-UHFFFAOYSA-N
XLogP3.11
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3H-indol-2-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-(3H-indol-2-ylmethyl)piperidin-1-yl]ethanone (CID 59857324) is 1-[2-(3H-indol-2-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(3H-indol-2-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(3H-indol-2-ylmethyl)piperidin-1-yl]ethanone is CC(=O)N1CCCCC1CC1=Nc2ccccc2C1.
What is the InChIKey of 1-[2-(3H-indol-2-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is SCDMUOGHHUHCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12(19)18-9-5-4-7-15(18)11-14-10-13-6-2-3-8-16(13)17-14/h2-3,6,8,15H,4-5,7,9-11H2,1H3.
What are the key properties of 1-[2-(3H-indol-2-ylmethyl)piperidin-1-yl]ethanone?
1-[2-(3H-indol-2-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 256.35 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3H-indol-2-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 59857324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).