3-methyl-6-(piperidin-3-ylmethyl)-1H-quinolin-2-one

C16H20N2O — CID 116997535

IUPAC3-methyl-6-(piperidin-3-ylmethyl)-1H-quinolin-2-one
SMILESCc1cc2cc(CC3CCCNC3)ccc2[nH]c1=O
InChIInChI=1S/C16H20N2O/c1-11-7-14-9-12(4-5-15(14)18-16(11)19)8-13-3-2-6-17-10-13/h4-5,7,9,13,17H,2-3,6,8,10H2,1H3,(H,18,19)
InChIKeyBAIRSMGWIHWZAE-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.38
Rot. Bonds2

About 3-methyl-6-(piperidin-3-ylmethyl)-1H-quinolin-2-one

3-methyl-6-(piperidin-3-ylmethyl)-1H-quinolin-2-one (PubChem CID 116997535) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-methyl-6-(piperidin-3-ylmethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-methyl-6-(piperidin-3-ylmethyl)-1H-quinolin-2-one
PubChem CID116997535
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-methyl-6-(piperidin-3-ylmethyl)-1H-quinolin-2-one
SMILESCc1cc2cc(CC3CCCNC3)ccc2[nH]c1=O
InChIInChI=1S/C16H20N2O/c1-11-7-14-9-12(4-5-15(14)18-16(11)19)8-13-3-2-6-17-10-13/h4-5,7,9,13,17H,2-3,6,8,10H2,1H3,(H,18,19)
InChIKeyBAIRSMGWIHWZAE-UHFFFAOYSA-N
XLogP2.38
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one
CID 84635995
6-bromo-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one
CID 84645834
3-[(3-ethyl-4-methylphenyl)methyl]piperidine
CID 84785651
2,3-dimethyl-6-(piperidin-3-ylmethyl)-1H-indole
CID 117358368
1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one
CID 82500378
3-methyl-6-(piperidin-3-ylmethyl)quinoline
CID 116997414
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
2-methyl-4-[[(3R)-piperidin-3-yl]methyl]pyridine
CID 139490801
2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole
CID 117391858
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]cyclohexanecarboxamide
CID 110666063

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(piperidin-3-ylmethyl)-1H-quinolin-2-one?
The IUPAC name of 3-methyl-6-(piperidin-3-ylmethyl)-1H-quinolin-2-one (CID 116997535) is 3-methyl-6-(piperidin-3-ylmethyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-methyl-6-(piperidin-3-ylmethyl)-1H-quinolin-2-one?
The canonical SMILES for 3-methyl-6-(piperidin-3-ylmethyl)-1H-quinolin-2-one is Cc1cc2cc(CC3CCCNC3)ccc2[nH]c1=O.
What is the InChIKey of 3-methyl-6-(piperidin-3-ylmethyl)-1H-quinolin-2-one?
The InChIKey is BAIRSMGWIHWZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-7-14-9-12(4-5-15(14)18-16(11)19)8-13-3-2-6-17-10-13/h4-5,7,9,13,17H,2-3,6,8,10H2,1H3,(H,18,19).
What are the key properties of 3-methyl-6-(piperidin-3-ylmethyl)-1H-quinolin-2-one?
3-methyl-6-(piperidin-3-ylmethyl)-1H-quinolin-2-one has a molecular weight of 256.35 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(piperidin-3-ylmethyl)-1H-quinolin-2-one is sourced from PubChem (CID 116997535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).