1-methyl-5-(piperidin-4-ylmethyl)-3,4-dihydroquinolin-2-one

C16H22N2O — CID 117399770

IUPAC1-methyl-5-(piperidin-4-ylmethyl)-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2c(CC3CCNCC3)cccc21
InChIInChI=1S/C16H22N2O/c1-18-15-4-2-3-13(14(15)5-6-16(18)19)11-12-7-9-17-10-8-12/h2-4,12,17H,5-11H2,1H3
InChIKeyJAZMAXIOJXRBGA-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.14
Rot. Bonds2

About 1-methyl-5-(piperidin-4-ylmethyl)-3,4-dihydroquinolin-2-one

1-methyl-5-(piperidin-4-ylmethyl)-3,4-dihydroquinolin-2-one (PubChem CID 117399770) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-methyl-5-(piperidin-4-ylmethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-5-(piperidin-4-ylmethyl)-3,4-dihydroquinolin-2-one
PubChem CID117399770
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-methyl-5-(piperidin-4-ylmethyl)-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2c(CC3CCNCC3)cccc21
InChIInChI=1S/C16H22N2O/c1-18-15-4-2-3-13(14(15)5-6-16(18)19)11-12-7-9-17-10-8-12/h2-4,12,17H,5-11H2,1H3
InChIKeyJAZMAXIOJXRBGA-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-5-pyrrolidin-3-yloxy-3,4-dihydroquinolin-2-one
CID 117209696
5-(isocyanatomethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117307973
1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117030772
1-methyl-4-[2-(piperidin-4-ylmethyl)phenyl]piperazine
CID 117436744
1-methyl-7-(pyrrolidin-3-ylmethyl)-3H-indol-2-one
CID 84793759
1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one
CID 134506749
4-[2-(piperidin-4-ylmethyl)phenyl]piperazine-2,6-dione
CID 117463844
4-ethyl-1-methyl-3H-indol-2-one
CID 122533875
3-bromo-1-methyl-7-(piperidin-4-ylmethyl)indazole
CID 117493169
1,2-dimethyl-4-(piperidin-4-ylmethyl)benzimidazole
CID 117360773
6-[4-(2-azaspiro[3.3]heptan-6-ylmethyl)-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305411
2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol
CID 117426876

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(piperidin-4-ylmethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-5-(piperidin-4-ylmethyl)-3,4-dihydroquinolin-2-one (CID 117399770) is 1-methyl-5-(piperidin-4-ylmethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-5-(piperidin-4-ylmethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-5-(piperidin-4-ylmethyl)-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2c(CC3CCNCC3)cccc21.
What is the InChIKey of 1-methyl-5-(piperidin-4-ylmethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is JAZMAXIOJXRBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-18-15-4-2-3-13(14(15)5-6-16(18)19)11-12-7-9-17-10-8-12/h2-4,12,17H,5-11H2,1H3.
What are the key properties of 1-methyl-5-(piperidin-4-ylmethyl)-3,4-dihydroquinolin-2-one?
1-methyl-5-(piperidin-4-ylmethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 258.36 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(piperidin-4-ylmethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 117399770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).