3-(1-benzylpiperidin-4-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)propan-1-one

C25H32N2O — CID 10090965

IUPAC3-(1-benzylpiperidin-4-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)propan-1-one
SMILESCN1CCCc2ccc(C(=O)CCC3CCN(Cc4ccccc4)CC3)cc21
InChIInChI=1S/C25H32N2O/c1-26-15-5-8-22-10-11-23(18-24(22)26)25(28)12-9-20-13-16-27(17-14-20)19-21-6-3-2-4-7-21/h2-4,6-7,10-11,18,20H,5,8-9,12-17,19H2,1H3
InChIKeyBWZUHISSAMBGLB-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.94
Rot. Bonds6

About 3-(1-benzylpiperidin-4-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)propan-1-one

3-(1-benzylpiperidin-4-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)propan-1-one (PubChem CID 10090965) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)propan-1-one.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)propan-1-one
PubChem CID10090965
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Name3-(1-benzylpiperidin-4-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)propan-1-one
SMILESCN1CCCc2ccc(C(=O)CCC3CCN(Cc4ccccc4)CC3)cc21
InChIInChI=1S/C25H32N2O/c1-26-15-5-8-22-10-11-23(18-24(22)26)25(28)12-9-20-13-16-27(17-14-20)19-21-6-3-2-4-7-21/h2-4,6-7,10-11,18,20H,5,8-9,12-17,19H2,1H3
InChIKeyBWZUHISSAMBGLB-UHFFFAOYSA-N
XLogP4.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)propan-1-one?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)propan-1-one (CID 10090965) is 3-(1-benzylpiperidin-4-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)propan-1-one.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)propan-1-one?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)propan-1-one is CN1CCCc2ccc(C(=O)CCC3CCN(Cc4ccccc4)CC3)cc21.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)propan-1-one?
The InChIKey is BWZUHISSAMBGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O/c1-26-15-5-8-22-10-11-23(18-24(22)26)25(28)12-9-20-13-16-27(17-14-20)19-21-6-3-2-4-7-21/h2-4,6-7,10-11,18,20H,5,8-9,12-17,19H2,1H3.
What are the key properties of 3-(1-benzylpiperidin-4-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)propan-1-one?
3-(1-benzylpiperidin-4-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)propan-1-one has a molecular weight of 376.54 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)propan-1-one is sourced from PubChem (CID 10090965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).