1-(2,3-dihydro-1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)ethanone

C16H22N2O — CID 82102438

IUPAC1-(2,3-dihydro-1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(CC(=O)c2ccc3c(c2)CCN3)C1
InChIInChI=1S/C16H22N2O/c1-12-3-2-8-18(10-12)11-16(19)14-4-5-15-13(9-14)6-7-17-15/h4-5,9,12,17H,2-3,6-8,10-11H2,1H3
InChIKeyGCNBWOGZRKAZBP-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.57
Rot. Bonds3

About 1-(2,3-dihydro-1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)ethanone

1-(2,3-dihydro-1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)ethanone (PubChem CID 82102438) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)ethanone
PubChem CID82102438
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-(2,3-dihydro-1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(CC(=O)c2ccc3c(c2)CCN3)C1
InChIInChI=1S/C16H22N2O/c1-12-3-2-8-18(10-12)11-16(19)14-4-5-15-13(9-14)6-7-17-15/h4-5,9,12,17H,2-3,6-8,10-11H2,1H3
InChIKeyGCNBWOGZRKAZBP-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-3-carboxylate
CID 82256294
1-(3,4-dihydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219441
1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82260944
1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 5043058
1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82050236
1-(2,3-dihydro-1H-indol-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 82102443
N-(1-ethylpiperidin-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61169040
2,3-dihydro-1H-indol-5-yl-(2-ethylpyrrolidin-1-yl)methanone
CID 54886081
2,3-dihydro-1H-indol-5-yl-[(2S)-2-ethylpyrrolidin-1-yl]methanone
CID 93394367
2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone
CID 82051048
1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone
CID 82097094
2-(3-methylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)ethanone
CID 82051816

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)ethanone (CID 82102438) is 1-(2,3-dihydro-1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(CC(=O)c2ccc3c(c2)CCN3)C1.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is GCNBWOGZRKAZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-3-2-8-18(10-12)11-16(19)14-4-5-15-13(9-14)6-7-17-15/h4-5,9,12,17H,2-3,6-8,10-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)ethanone?
1-(2,3-dihydro-1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 258.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 82102438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).