2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone

C16H20N2O — CID 110702436

IUPAC2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cn2ccc3ccccc32)C1
InChIInChI=1S/C16H20N2O/c1-13-5-4-9-18(11-13)16(19)12-17-10-8-14-6-2-3-7-15(14)17/h2-3,6-8,10,13H,4-5,9,11-12H2,1H3
InChIKeyFXYLBOPBMWRPLP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.90
Rot. Bonds2

About 2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone

2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 110702436) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID110702436
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cn2ccc3ccccc32)C1
InChIInChI=1S/C16H20N2O/c1-13-5-4-9-18(11-13)16(19)12-17-10-8-14-6-2-3-7-15(14)17/h2-3,6-8,10,13H,4-5,9,11-12H2,1H3
InChIKeyFXYLBOPBMWRPLP-UHFFFAOYSA-N
XLogP2.90
TPSA25.24 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 ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 52516114
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91947010
1-(4-acetyl-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 56817791
2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone
CID 124848062
2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 86971243
2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95349017
2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257179
1-[1-(2-indol-1-ylacetyl)piperidin-3-yl]imidazolidin-2-one
CID 56821754
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone
CID 95341515
1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 74249344
1-(2,6-dimethylpiperidin-1-yl)-2-indol-1-ylethanone
CID 110702430

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone (CID 110702436) is 2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)Cn2ccc3ccccc32)C1.
What is the InChIKey of 2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is FXYLBOPBMWRPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13-5-4-9-18(11-13)16(19)12-17-10-8-14-6-2-3-7-15(14)17/h2-3,6-8,10,13H,4-5,9,11-12H2,1H3.
What are the key properties of 2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone?
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 256.35 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110702436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).