4-[3-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1H-pyridin-6-one

C14H24N2O — CID 135202248

IUPAC4-[3-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1H-pyridin-6-one
SMILESCC1CCCN(CCCC2=CC(=O)NCC2)C1
InChIInChI=1S/C14H24N2O/c1-12-4-2-8-16(11-12)9-3-5-13-6-7-15-14(17)10-13/h10,12H,2-9,11H2,1H3,(H,15,17)
InChIKeyQFXUMVPLKWGFMO-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.94
Rot. Bonds4

About 4-[3-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1H-pyridin-6-one

4-[3-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1H-pyridin-6-one (PubChem CID 135202248) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-[3-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name4-[3-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1H-pyridin-6-one
PubChem CID135202248
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-[3-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1H-pyridin-6-one
SMILESCC1CCCN(CCCC2=CC(=O)NCC2)C1
InChIInChI=1S/C14H24N2O/c1-12-4-2-8-16(11-12)9-3-5-13-6-7-15-14(17)10-13/h10,12H,2-9,11H2,1H3,(H,15,17)
InChIKeyQFXUMVPLKWGFMO-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 4-[3-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1H-pyridin-6-one (CID 135202248) is 4-[3-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 4-[3-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 4-[3-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1H-pyridin-6-one is CC1CCCN(CCCC2=CC(=O)NCC2)C1.
What is the InChIKey of 4-[3-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is QFXUMVPLKWGFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12-4-2-8-16(11-12)9-3-5-13-6-7-15-14(17)10-13/h10,12H,2-9,11H2,1H3,(H,15,17).
What are the key properties of 4-[3-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1H-pyridin-6-one?
4-[3-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 236.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 135202248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).