1-[5-(piperidine-2-carbonyl)-2,3-dihydroindol-1-yl]butan-1-one

C18H24N2O2 — CID 82340965

IUPAC1-[5-(piperidine-2-carbonyl)-2,3-dihydroindol-1-yl]butan-1-one
SMILESCCCC(=O)N1CCc2cc(C(=O)C3CCCCN3)ccc21
InChIInChI=1S/C18H24N2O2/c1-2-5-17(21)20-11-9-13-12-14(7-8-16(13)20)18(22)15-6-3-4-10-19-15/h7-8,12,15,19H,2-6,9-11H2,1H3
InChIKeyYOURBODZPVWFDT-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.70
Rot. Bonds4

About 1-[5-(piperidine-2-carbonyl)-2,3-dihydroindol-1-yl]butan-1-one

1-[5-(piperidine-2-carbonyl)-2,3-dihydroindol-1-yl]butan-1-one (PubChem CID 82340965) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[5-(piperidine-2-carbonyl)-2,3-dihydroindol-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[5-(piperidine-2-carbonyl)-2,3-dihydroindol-1-yl]butan-1-one
PubChem CID82340965
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-[5-(piperidine-2-carbonyl)-2,3-dihydroindol-1-yl]butan-1-one
SMILESCCCC(=O)N1CCc2cc(C(=O)C3CCCCN3)ccc21
InChIInChI=1S/C18H24N2O2/c1-2-5-17(21)20-11-9-13-12-14(7-8-16(13)20)18(22)15-6-3-4-10-19-15/h7-8,12,15,19H,2-6,9-11H2,1H3
InChIKeyYOURBODZPVWFDT-UHFFFAOYSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid
CID 61157412
4-amino-1-(1-butanoyl-2,3-dihydroindol-5-yl)butan-1-one
CID 82340972
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
2-bromo-1-(1-butanoyl-2,3-dihydroindol-5-yl)pentan-1-one
CID 82258792
1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one
CID 28707300
1-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157415
1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 82259061
piperidin-2-yl-(4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanone
CID 82340061
1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349399
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 62211207
1-(5-nitro-2,3-dihydroindol-1-yl)butan-1-one
CID 3584767

Frequently Asked Questions

What is the IUPAC name of 1-[5-(piperidine-2-carbonyl)-2,3-dihydroindol-1-yl]butan-1-one?
The IUPAC name of 1-[5-(piperidine-2-carbonyl)-2,3-dihydroindol-1-yl]butan-1-one (CID 82340965) is 1-[5-(piperidine-2-carbonyl)-2,3-dihydroindol-1-yl]butan-1-one.
What is the SMILES notation for 1-[5-(piperidine-2-carbonyl)-2,3-dihydroindol-1-yl]butan-1-one?
The canonical SMILES for 1-[5-(piperidine-2-carbonyl)-2,3-dihydroindol-1-yl]butan-1-one is CCCC(=O)N1CCc2cc(C(=O)C3CCCCN3)ccc21.
What is the InChIKey of 1-[5-(piperidine-2-carbonyl)-2,3-dihydroindol-1-yl]butan-1-one?
The InChIKey is YOURBODZPVWFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-5-17(21)20-11-9-13-12-14(7-8-16(13)20)18(22)15-6-3-4-10-19-15/h7-8,12,15,19H,2-6,9-11H2,1H3.
What are the key properties of 1-[5-(piperidine-2-carbonyl)-2,3-dihydroindol-1-yl]butan-1-one?
1-[5-(piperidine-2-carbonyl)-2,3-dihydroindol-1-yl]butan-1-one has a molecular weight of 300.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(piperidine-2-carbonyl)-2,3-dihydroindol-1-yl]butan-1-one is sourced from PubChem (CID 82340965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).