3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one

C23H28N2O — CID 10089125

IUPAC3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one
SMILESO=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCN2
InChIInChI=1S/C23H28N2O/c26-23(21-7-8-22-20(16-21)10-13-24-22)9-6-18-11-14-25(15-12-18)17-19-4-2-1-3-5-19/h1-5,7-8,16,18,24H,6,9-15,17H2
InChIKeyRTDPVOSMBHIAJV-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.53
Rot. Bonds6

About 3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one

3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one (PubChem CID 10089125) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one
PubChem CID10089125
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one
SMILESO=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCN2
InChIInChI=1S/C23H28N2O/c26-23(21-7-8-22-20(16-21)10-13-24-22)9-6-18-11-14-25(15-12-18)17-19-4-2-1-3-5-19/h1-5,7-8,16,18,24H,6,9-15,17H2
InChIKeyRTDPVOSMBHIAJV-UHFFFAOYSA-N
XLogP4.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one (CID 10089125) is 3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one is O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCN2.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one?
The InChIKey is RTDPVOSMBHIAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c26-23(21-7-8-22-20(16-21)10-13-24-22)9-6-18-11-14-25(15-12-18)17-19-4-2-1-3-5-19/h1-5,7-8,16,18,24H,6,9-15,17H2.
What are the key properties of 3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one?
3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one has a molecular weight of 348.49 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one is sourced from PubChem (CID 10089125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).