1-methyl-6-(piperidin-2-ylmethyl)-3,4-dihydroquinolin-2-one

C16H22N2O — CID 82500114

IUPAC1-methyl-6-(piperidin-2-ylmethyl)-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(CC3CCCCN3)ccc21
InChIInChI=1S/C16H22N2O/c1-18-15-7-5-12(10-13(15)6-8-16(18)19)11-14-4-2-3-9-17-14/h5,7,10,14,17H,2-4,6,8-9,11H2,1H3
InChIKeyVONIYDAPSFYVSA-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.28
Rot. Bonds2

About 1-methyl-6-(piperidin-2-ylmethyl)-3,4-dihydroquinolin-2-one

1-methyl-6-(piperidin-2-ylmethyl)-3,4-dihydroquinolin-2-one (PubChem CID 82500114) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-methyl-6-(piperidin-2-ylmethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-(piperidin-2-ylmethyl)-3,4-dihydroquinolin-2-one
PubChem CID82500114
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-methyl-6-(piperidin-2-ylmethyl)-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(CC3CCCCN3)ccc21
InChIInChI=1S/C16H22N2O/c1-18-15-7-5-12(10-13(15)6-8-16(18)19)11-14-4-2-3-9-17-14/h5,7,10,14,17H,2-4,6,8-9,11H2,1H3
InChIKeyVONIYDAPSFYVSA-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
CID 117360963
1-methyl-6-[[methyl-(2-oxoazepan-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one
CID 154805037
1-[5-(pyrrolidin-2-ylmethyl)-2,3-dihydroindol-1-yl]ethanone
CID 82340900
1-methyl-6-pyrrolidin-2-yl-3,4-dihydroquinolin-2-one
CID 82288921
1-methyl-5-(piperazin-2-ylmethyl)-3H-indol-2-one
CID 116825281
1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one
CID 116932140
2,4-dimethyl-6-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 82339601
1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 82479603
6-fluoro-1-(2-piperidin-2-ylethyl)-3,4-dihydroquinolin-2-one
CID 61345345
1-cyclopentyl-3-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]urea
CID 110775819
1-methyl-7-piperidin-2-yl-3,4-dihydroquinolin-2-one
CID 117363068
2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine
CID 117447160

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(piperidin-2-ylmethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-(piperidin-2-ylmethyl)-3,4-dihydroquinolin-2-one (CID 82500114) is 1-methyl-6-(piperidin-2-ylmethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-(piperidin-2-ylmethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-(piperidin-2-ylmethyl)-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(CC3CCCCN3)ccc21.
What is the InChIKey of 1-methyl-6-(piperidin-2-ylmethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is VONIYDAPSFYVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-18-15-7-5-12(10-13(15)6-8-16(18)19)11-14-4-2-3-9-17-14/h5,7,10,14,17H,2-4,6,8-9,11H2,1H3.
What are the key properties of 1-methyl-6-(piperidin-2-ylmethyl)-3,4-dihydroquinolin-2-one?
1-methyl-6-(piperidin-2-ylmethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 258.36 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(piperidin-2-ylmethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 82500114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).