3-(1-benzylpiperidin-4-yl)-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one

C24H30N2O — CID 10090059

IUPAC3-(1-benzylpiperidin-4-yl)-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one
SMILESO=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NCCC2
InChIInChI=1S/C24H30N2O/c27-24(22-10-9-21-7-4-14-25-23(21)17-22)11-8-19-12-15-26(16-13-19)18-20-5-2-1-3-6-20/h1-3,5-6,9-10,17,19,25H,4,7-8,11-16,18H2
InChIKeyKWRRGOAPOBYBJX-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.92
Rot. Bonds6

About 3-(1-benzylpiperidin-4-yl)-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one

3-(1-benzylpiperidin-4-yl)-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one (PubChem CID 10090059) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one
PubChem CID10090059
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name3-(1-benzylpiperidin-4-yl)-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one
SMILESO=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NCCC2
InChIInChI=1S/C24H30N2O/c27-24(22-10-9-21-7-4-14-25-23(21)17-22)11-8-19-12-15-26(16-13-19)18-20-5-2-1-3-6-20/h1-3,5-6,9-10,17,19,25H,4,7-8,11-16,18H2
InChIKeyKWRRGOAPOBYBJX-UHFFFAOYSA-N
XLogP4.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.92
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-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one (CID 10090059) is 3-(1-benzylpiperidin-4-yl)-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one is O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NCCC2.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one?
The InChIKey is KWRRGOAPOBYBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c27-24(22-10-9-21-7-4-14-25-23(21)17-22)11-8-19-12-15-26(16-13-19)18-20-5-2-1-3-6-20/h1-3,5-6,9-10,17,19,25H,4,7-8,11-16,18H2.
What are the key properties of 3-(1-benzylpiperidin-4-yl)-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one?
3-(1-benzylpiperidin-4-yl)-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one has a molecular weight of 362.52 g/mol, XLogP of 4.92, 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-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one is sourced from PubChem (CID 10090059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).