1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one

C16H20N2O — CID 113088531

IUPAC1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C16H20N2O/c1-2-16(19)18-9-5-7-13(11-18)15-10-12-6-3-4-8-14(12)17-15/h3-4,6,8,10,13,17H,2,5,7,9,11H2,1H3
InChIKeyGZPYFYAWIXJNRR-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.28
Rot. Bonds2

About 1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one

1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 113088531) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID113088531
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C16H20N2O/c1-2-16(19)18-9-5-7-13(11-18)15-10-12-6-3-4-8-14(12)17-15/h3-4,6,8,10,13,17H,2,5,7,9,11H2,1H3
InChIKeyGZPYFYAWIXJNRR-UHFFFAOYSA-N
XLogP3.28
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one
CID 113088532
2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088564
(3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088558
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
2-(1-propylsulfonylpiperidin-3-yl)-1H-indole
CID 113088602
1-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]pentan-1-one
CID 113088645
2-[2-[(3R)-3-(1H-indol-2-yl)piperidine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide
CID 51957087
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 113088297
1H-indol-2-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95189827
1-[3-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113088771
2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole
CID 113088605
2-cyclohexyl-1H-indole
CID 607977

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one (CID 113088531) is 1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC(c2cc3ccccc3[nH]2)C1.
What is the InChIKey of 1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is GZPYFYAWIXJNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-16(19)18-9-5-7-13(11-18)15-10-12-6-3-4-8-14(12)17-15/h3-4,6,8,10,13,17H,2,5,7,9,11H2,1H3.
What are the key properties of 1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one?
1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 256.35 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 113088531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).