1-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone

C15H19N2O+ — CID 6938363

IUPAC1-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone
SMILESO=C(C[NH+]1CCCCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H18N2O/c18-15(11-17-8-4-1-5-9-17)13-10-16-14-7-3-2-6-12(13)14/h2-3,6-7,10,16H,1,4-5,8-9,11H2/p+1
InChIKeyCDRQAUBCVZVLOJ-UHFFFAOYSA-O
MW243.33 g/mol
LogP1.42
Rot. Bonds3

About 1-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone

1-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone (PubChem CID 6938363) has the molecular formula C15H19N2O+ and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone
PubChem CID6938363
Molecular FormulaC15H19N2O+
Molecular Weight243.33 g/mol
Exact Mass243.15
IUPAC Name1-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone
SMILESO=C(C[NH+]1CCCCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H18N2O/c18-15(11-17-8-4-1-5-9-17)13-10-16-14-7-3-2-6-12(13)14/h2-3,6-7,10,16H,1,4-5,8-9,11H2/p+1
InChIKeyCDRQAUBCVZVLOJ-UHFFFAOYSA-O
XLogP1.42
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone
CID 7358174
1-(1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone
CID 7358173
1-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanone
CID 6953992
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(1H-indol-3-yl)ethanone
CID 7372799
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one
CID 43339260
2-(2-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339237
[2-(1H-indol-3-yl)-2-oxoethyl]phosphonic acid
CID 102129257
4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide
CID 4999074

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone (CID 6938363) is 1-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone is O=C(C[NH+]1CCCCC1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone?
The InChIKey is CDRQAUBCVZVLOJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N2O/c18-15(11-17-8-4-1-5-9-17)13-10-16-14-7-3-2-6-12(13)14/h2-3,6-7,10,16H,1,4-5,8-9,11H2/p+1.
What are the key properties of 1-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone?
1-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone has a molecular weight of 243.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone is sourced from PubChem (CID 6938363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).