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

C17H22N2O — CID 113088532

IUPAC1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C17H22N2O/c1-2-6-17(20)19-10-5-8-14(12-19)16-11-13-7-3-4-9-15(13)18-16/h3-4,7,9,11,14,18H,2,5-6,8,10,12H2,1H3
InChIKeyGHOUUJDUJWRSNA-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.67
Rot. Bonds3

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

1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one (PubChem CID 113088532) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one
PubChem CID113088532
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C17H22N2O/c1-2-6-17(20)19-10-5-8-14(12-19)16-11-13-7-3-4-9-15(13)18-16/h3-4,7,9,11,14,18H,2,5-6,8,10,12H2,1H3
InChIKeyGHOUUJDUJWRSNA-UHFFFAOYSA-N
XLogP3.67
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 113088531
2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088564
1-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]pentan-1-one
CID 113088645
(3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088558
2-(1-propylsulfonylpiperidin-3-yl)-1H-indole
CID 113088602
2-[2-[(3R)-3-(1H-indol-2-yl)piperidine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide
CID 51957087
3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
CID 92610992
N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 51728621
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 113088321
[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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one (CID 113088532) is 1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CCCC(c2cc3ccccc3[nH]2)C1.
What is the InChIKey of 1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one?
The InChIKey is GHOUUJDUJWRSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-6-17(20)19-10-5-8-14(12-19)16-11-13-7-3-4-9-15(13)18-16/h3-4,7,9,11,14,18H,2,5-6,8,10,12H2,1H3.
What are the key properties of 1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one?
1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one has a molecular weight of 270.38 g/mol, XLogP of 3.67, 3 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]butan-1-one is sourced from PubChem (CID 113088532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).