1-[2-methyl-5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]ethanone

C17H24N2O — CID 82260280

IUPAC1-[2-methyl-5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccc(CC3CCCNC3)cc2CC1C
InChIInChI=1S/C17H24N2O/c1-12-8-16-10-14(9-15-4-3-7-18-11-15)5-6-17(16)19(12)13(2)20/h5-6,10,12,15,18H,3-4,7-9,11H2,1-2H3
InChIKeyMGJUGJYVZHGVNY-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.53
Rot. Bonds2

About 1-[2-methyl-5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]ethanone

1-[2-methyl-5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 82260280) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[2-methyl-5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID82260280
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[2-methyl-5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccc(CC3CCCNC3)cc2CC1C
InChIInChI=1S/C17H24N2O/c1-12-8-16-10-14(9-15-4-3-7-18-11-15)5-6-17(16)19(12)13(2)20/h5-6,10,12,15,18H,3-4,7-9,11H2,1-2H3
InChIKeyMGJUGJYVZHGVNY-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[6-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 82260294
2,2-dimethyl-1-[5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 82260273
1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 117363448
1-(2,5-dimethyl-2,3-dihydroindol-1-yl)ethanone
CID 170151207
1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one
CID 82500378
1-acetyl-2-methyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 119974443
(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 97024862
3-[(3-ethyl-4-methylphenyl)methyl]piperidine
CID 84785651
methyl 4-(piperidin-3-ylmethyl)benzoate
CID 45074031
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
methyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-3-chlorobutanoate
CID 82352099
4-[2-fluoro-4-(piperidin-3-ylmethyl)phenyl]morpholine
CID 117446569

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[2-methyl-5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]ethanone (CID 82260280) is 1-[2-methyl-5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[2-methyl-5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1c2ccc(CC3CCCNC3)cc2CC1C.
What is the InChIKey of 1-[2-methyl-5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is MGJUGJYVZHGVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-8-16-10-14(9-15-4-3-7-18-11-15)5-6-17(16)19(12)13(2)20/h5-6,10,12,15,18H,3-4,7-9,11H2,1-2H3.
What are the key properties of 1-[2-methyl-5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]ethanone?
1-[2-methyl-5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 272.39 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 82260280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).