3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one

C18H26N2O — CID 109014373

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)CCN2CCCc3ccccc32)CC1
InChIInChI=1S/C18H26N2O/c1-15-8-12-20(13-9-15)18(21)10-14-19-11-4-6-16-5-2-3-7-17(16)19/h2-3,5,7,15H,4,6,8-14H2,1H3
InChIKeyPIYDQIQMOSYBMU-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.09
Rot. Bonds3

About 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one

3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 109014373) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID109014373
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)CCN2CCCc3ccccc32)CC1
InChIInChI=1S/C18H26N2O/c1-15-8-12-20(13-9-15)18(21)10-14-19-11-4-6-16-5-2-3-7-17(16)19/h2-3,5,7,15H,4,6,8-14H2,1H3
InChIKeyPIYDQIQMOSYBMU-UHFFFAOYSA-N
XLogP3.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one (CID 109014373) is 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(=O)CCN2CCCc3ccccc32)CC1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is PIYDQIQMOSYBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-15-8-12-20(13-9-15)18(21)10-14-19-11-4-6-16-5-2-3-7-17(16)19/h2-3,5,7,15H,4,6,8-14H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 286.42 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 109014373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).