3-[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-1-methylquinolin-2-one

C22H24N2O2 — CID 170512727

IUPAC3-[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-1-methylquinolin-2-one
SMILESCn1c(=O)c(-c2cccc(CN3CCCC(O)C3)c2)cc2ccccc21
InChIInChI=1S/C22H24N2O2/c1-23-21-10-3-2-7-18(21)13-20(22(23)26)17-8-4-6-16(12-17)14-24-11-5-9-19(25)15-24/h2-4,6-8,10,12-13,19,25H,5,9,11,14-15H2,1H3
InChIKeyKNJUUTUKYYMECQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.16
Rot. Bonds3

About 3-[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-1-methylquinolin-2-one

3-[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-1-methylquinolin-2-one (PubChem CID 170512727) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-1-methylquinolin-2-one
PubChem CID170512727
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name3-[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-1-methylquinolin-2-one
SMILESCn1c(=O)c(-c2cccc(CN3CCCC(O)C3)c2)cc2ccccc21
InChIInChI=1S/C22H24N2O2/c1-23-21-10-3-2-7-18(21)13-20(22(23)26)17-8-4-6-16(12-17)14-24-11-5-9-19(25)15-24/h2-4,6-8,10,12-13,19,25H,5,9,11,14-15H2,1H3
InChIKeyKNJUUTUKYYMECQ-UHFFFAOYSA-N
XLogP3.16
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
1-benzylpiperidin-3-ol;methanesulfonic acid
CID 87886943
(3R)-1-benzylazepan-3-ol
CID 124585423
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
N-[2-[(3R)-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide
CID 95210015
[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 60527564
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
1-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol
CID 44526303
4-amino-6-(2,6-dichlorophenyl)-2-[3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 67333612
1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol
CID 165424779
(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 29231219
5-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-3H-isoindol-1-one
CID 170508464

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-1-methylquinolin-2-one?
The IUPAC name of 3-[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-1-methylquinolin-2-one (CID 170512727) is 3-[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-1-methylquinolin-2-one.
What is the SMILES notation for 3-[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-1-methylquinolin-2-one?
The canonical SMILES for 3-[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-1-methylquinolin-2-one is Cn1c(=O)c(-c2cccc(CN3CCCC(O)C3)c2)cc2ccccc21.
What is the InChIKey of 3-[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-1-methylquinolin-2-one?
The InChIKey is KNJUUTUKYYMECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-23-21-10-3-2-7-18(21)13-20(22(23)26)17-8-4-6-16(12-17)14-24-11-5-9-19(25)15-24/h2-4,6-8,10,12-13,19,25H,5,9,11,14-15H2,1H3.
What are the key properties of 3-[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-1-methylquinolin-2-one?
3-[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-1-methylquinolin-2-one has a molecular weight of 348.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-1-methylquinolin-2-one is sourced from PubChem (CID 170512727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).