1-(2,3-dihydro-1H-indol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)propan-1-one

C18H26N2O — CID 82102458

IUPAC1-(2,3-dihydro-1H-indol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)propan-1-one
SMILESCC1CC(C)CN(C(C)C(=O)c2ccc3c(c2)CCN3)C1
InChIInChI=1S/C18H26N2O/c1-12-8-13(2)11-20(10-12)14(3)18(21)16-4-5-17-15(9-16)6-7-19-17/h4-5,9,12-14,19H,6-8,10-11H2,1-3H3
InChIKeyPCYGFSXNMDLVMJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.20
Rot. Bonds3

About 1-(2,3-dihydro-1H-indol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)propan-1-one

1-(2,3-dihydro-1H-indol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)propan-1-one (PubChem CID 82102458) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)propan-1-one
PubChem CID82102458
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(2,3-dihydro-1H-indol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)propan-1-one
SMILESCC1CC(C)CN(C(C)C(=O)c2ccc3c(c2)CCN3)C1
InChIInChI=1S/C18H26N2O/c1-12-8-13(2)11-20(10-12)14(3)18(21)16-4-5-17-15(9-16)6-7-19-17/h4-5,9,12-14,19H,6-8,10-11H2,1-3H3
InChIKeyPCYGFSXNMDLVMJ-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)propan-1-one (CID 82102458) is 1-(2,3-dihydro-1H-indol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)propan-1-one is CC1CC(C)CN(C(C)C(=O)c2ccc3c(c2)CCN3)C1.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)propan-1-one?
The InChIKey is PCYGFSXNMDLVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12-8-13(2)11-20(10-12)14(3)18(21)16-4-5-17-15(9-16)6-7-19-17/h4-5,9,12-14,19H,6-8,10-11H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)propan-1-one?
1-(2,3-dihydro-1H-indol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)propan-1-one has a molecular weight of 286.42 g/mol, XLogP of 3.20, 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-(3,5-dimethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 82102458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).