1-[2-[(3S,5S)-3-(aminomethyl)-5-hydroxypiperidin-1-yl]ethyl]-7-fluoroquinolin-2-one

C17H22FN3O2 — CID 68992138

IUPAC1-[2-[(3S,5S)-3-(aminomethyl)-5-hydroxypiperidin-1-yl]ethyl]-7-fluoroquinolin-2-one
SMILESNC[C@@H]1C[C@H](O)CN(CCn2c(=O)ccc3ccc(F)cc32)C1
InChIInChI=1S/C17H22FN3O2/c18-14-3-1-13-2-4-17(23)21(16(13)8-14)6-5-20-10-12(9-19)7-15(22)11-20/h1-4,8,12,15,22H,5-7,9-11,19H2/t12-,15-/m0/s1
InChIKeyUQTMMIQOGRTIRF-WFASDCNBSA-N
MW319.38 g/mol
LogP0.78
Rot. Bonds4

About 1-[2-[(3S,5S)-3-(aminomethyl)-5-hydroxypiperidin-1-yl]ethyl]-7-fluoroquinolin-2-one

1-[2-[(3S,5S)-3-(aminomethyl)-5-hydroxypiperidin-1-yl]ethyl]-7-fluoroquinolin-2-one (PubChem CID 68992138) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-[2-[(3S,5S)-3-(aminomethyl)-5-hydroxypiperidin-1-yl]ethyl]-7-fluoroquinolin-2-one.

Molecular Properties

Compound Name1-[2-[(3S,5S)-3-(aminomethyl)-5-hydroxypiperidin-1-yl]ethyl]-7-fluoroquinolin-2-one
PubChem CID68992138
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name1-[2-[(3S,5S)-3-(aminomethyl)-5-hydroxypiperidin-1-yl]ethyl]-7-fluoroquinolin-2-one
SMILESNC[C@@H]1C[C@H](O)CN(CCn2c(=O)ccc3ccc(F)cc32)C1
InChIInChI=1S/C17H22FN3O2/c18-14-3-1-13-2-4-17(23)21(16(13)8-14)6-5-20-10-12(9-19)7-15(22)11-20/h1-4,8,12,15,22H,5-7,9-11,19H2/t12-,15-/m0/s1
InChIKeyUQTMMIQOGRTIRF-WFASDCNBSA-N
XLogP0.78
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(3S,5S)-3-(aminomethyl)-5-hydroxypiperidin-1-yl]ethyl]-7-fluoroquinolin-2-one with MolForge

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Related Compounds

(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methylbut-2-enoyl)piperidin-3-ol
CID 23723527
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 162353378
N-(4-fluorophenyl)-4-(3-hydroxypiperidine-1-carbonyl)benzamide
CID 24981323
2-[[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]methyl]-6-fluoro-1H-quinolin-4-one
CID 70748349
1-[[4-[2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethylamino]phenyl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 49822050
1-[[2-(2-Hydroxyethylamino)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 49822132
1-[[2-(2-Morpholin-4-ylethylamino)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 49822210
2-(3-hydroxypiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 42913569
3-[4-(2-hydroxypropyl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 72142540
3-[(4-Acetyl-6-hydroxy-1,4-diazepan-1-yl)carbonyl]-2-quinolinol
CID 74230460
3-{[Benzyl(3-hydroxy-2-methylpropyl)amino]methyl}-7-fluoro-2-quinolinol
CID 46988785
N'-(2,3-dimethylphenyl)-N-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]propanediamide
CID 52388394

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S,5S)-3-(aminomethyl)-5-hydroxypiperidin-1-yl]ethyl]-7-fluoroquinolin-2-one?
The IUPAC name of 1-[2-[(3S,5S)-3-(aminomethyl)-5-hydroxypiperidin-1-yl]ethyl]-7-fluoroquinolin-2-one (CID 68992138) is 1-[2-[(3S,5S)-3-(aminomethyl)-5-hydroxypiperidin-1-yl]ethyl]-7-fluoroquinolin-2-one.
What is the SMILES notation for 1-[2-[(3S,5S)-3-(aminomethyl)-5-hydroxypiperidin-1-yl]ethyl]-7-fluoroquinolin-2-one?
The canonical SMILES for 1-[2-[(3S,5S)-3-(aminomethyl)-5-hydroxypiperidin-1-yl]ethyl]-7-fluoroquinolin-2-one is NC[C@@H]1C[C@H](O)CN(CCn2c(=O)ccc3ccc(F)cc32)C1.
What is the InChIKey of 1-[2-[(3S,5S)-3-(aminomethyl)-5-hydroxypiperidin-1-yl]ethyl]-7-fluoroquinolin-2-one?
The InChIKey is UQTMMIQOGRTIRF-WFASDCNBSA-N. The full InChI is InChI=1S/C17H22FN3O2/c18-14-3-1-13-2-4-17(23)21(16(13)8-14)6-5-20-10-12(9-19)7-15(22)11-20/h1-4,8,12,15,22H,5-7,9-11,19H2/t12-,15-/m0/s1.
What are the key properties of 1-[2-[(3S,5S)-3-(aminomethyl)-5-hydroxypiperidin-1-yl]ethyl]-7-fluoroquinolin-2-one?
1-[2-[(3S,5S)-3-(aminomethyl)-5-hydroxypiperidin-1-yl]ethyl]-7-fluoroquinolin-2-one has a molecular weight of 319.38 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S,5S)-3-(aminomethyl)-5-hydroxypiperidin-1-yl]ethyl]-7-fluoroquinolin-2-one is sourced from PubChem (CID 68992138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).