1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylpropan-1-one

C17H24N2O — CID 82256463

IUPAC1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylpropan-1-one
SMILESCC1Cc2cc(C(=O)C(C)N3CCCCC3)ccc2N1
InChIInChI=1S/C17H24N2O/c1-12-10-15-11-14(6-7-16(15)18-12)17(20)13(2)19-8-4-3-5-9-19/h6-7,11-13,18H,3-5,8-10H2,1-2H3
InChIKeyNBGKLTFIAXZZRA-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.10
Rot. Bonds3

About 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylpropan-1-one

1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylpropan-1-one (PubChem CID 82256463) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylpropan-1-one
PubChem CID82256463
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylpropan-1-one
SMILESCC1Cc2cc(C(=O)C(C)N3CCCCC3)ccc2N1
InChIInChI=1S/C17H24N2O/c1-12-10-15-11-14(6-7-16(15)18-12)17(20)13(2)19-8-4-3-5-9-19/h6-7,11-13,18H,3-5,8-10H2,1-2H3
InChIKeyNBGKLTFIAXZZRA-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylpropan-1-one (CID 82256463) is 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylpropan-1-one is CC1Cc2cc(C(=O)C(C)N3CCCCC3)ccc2N1.
What is the InChIKey of 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylpropan-1-one?
The InChIKey is NBGKLTFIAXZZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-10-15-11-14(6-7-16(15)18-12)17(20)13(2)19-8-4-3-5-9-19/h6-7,11-13,18H,3-5,8-10H2,1-2H3.
What are the key properties of 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylpropan-1-one?
1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylpropan-1-one has a molecular weight of 272.39 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 82256463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).