2,2-dimethyl-1-[5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]propan-1-one

C19H28N2O — CID 82260273

IUPAC2,2-dimethyl-1-[5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCc2cc(CC3CCCNC3)ccc21
InChIInChI=1S/C19H28N2O/c1-19(2,3)18(22)21-10-8-16-12-14(6-7-17(16)21)11-15-5-4-9-20-13-15/h6-7,12,15,20H,4-5,8-11,13H2,1-3H3
InChIKeyMVDVFEDQIUFXMX-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.16
Rot. Bonds2

About 2,2-dimethyl-1-[5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]propan-1-one

2,2-dimethyl-1-[5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 82260273) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 2,2-dimethyl-1-[5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID82260273
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name2,2-dimethyl-1-[5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCc2cc(CC3CCCNC3)ccc21
InChIInChI=1S/C19H28N2O/c1-19(2,3)18(22)21-10-8-16-12-14(6-7-17(16)21)11-15-5-4-9-20-13-15/h6-7,12,15,20H,4-5,8-11,13H2,1-3H3
InChIKeyMVDVFEDQIUFXMX-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.16
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
1-[2-methyl-5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]ethanone
CID 82260280
1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 117363448
1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 82260237
2-methyl-1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 82260239
1-[5-(pyrrolidin-2-ylmethyl)-2,3-dihydroindol-1-yl]ethanone
CID 82340900
1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone
CID 62690706
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119269291
1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157417
methyl 4-(piperidin-3-ylmethyl)benzoate
CID 45074031
1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119979250
4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine
CID 117368648

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]propan-1-one (CID 82260273) is 2,2-dimethyl-1-[5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCc2cc(CC3CCCNC3)ccc21.
What is the InChIKey of 2,2-dimethyl-1-[5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is MVDVFEDQIUFXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-19(2,3)18(22)21-10-8-16-12-14(6-7-17(16)21)11-15-5-4-9-20-13-15/h6-7,12,15,20H,4-5,8-11,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]propan-1-one?
2,2-dimethyl-1-[5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 300.45 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 82260273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).