5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one

C15H22N2O — CID 176655171

IUPAC5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC1CCCc2[nH]c(=O)c(C3CCNCC3)cc21
InChIInChI=1S/C15H22N2O/c1-10-3-2-4-14-12(10)9-13(15(18)17-14)11-5-7-16-8-6-11/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyHKVAGTJBXFMINR-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.28
Rot. Bonds1

About 5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 176655171) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID176655171
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC1CCCc2[nH]c(=O)c(C3CCNCC3)cc21
InChIInChI=1S/C15H22N2O/c1-10-3-2-4-14-12(10)9-13(15(18)17-14)11-5-7-16-8-6-11/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyHKVAGTJBXFMINR-UHFFFAOYSA-N
XLogP2.28
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 176655171) is 5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one is CC1CCCc2[nH]c(=O)c(C3CCNCC3)cc21.
What is the InChIKey of 5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is HKVAGTJBXFMINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-3-2-4-14-12(10)9-13(15(18)17-14)11-5-7-16-8-6-11/h9-11,16H,2-8H2,1H3,(H,17,18).
What are the key properties of 5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 176655171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).