5-[(3R,5R)-1-[2-(azetidin-1-yl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile

C21H24N4O — CID 134237236

IUPAC5-[(3R,5R)-1-[2-(azetidin-1-yl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1C[C@H](c2ccc(C#N)c3ncccc23)CN(C(=O)CN2CCC2)C1
InChIInChI=1S/C21H24N4O/c1-15-10-17(13-25(12-15)20(26)14-24-8-3-9-24)18-6-5-16(11-22)21-19(18)4-2-7-23-21/h2,4-7,15,17H,3,8-10,12-14H2,1H3/t15-,17+/m1/s1
InChIKeyOYSGFGYUXORMAD-WBVHZDCISA-N
MW348.45 g/mol
LogP2.76
Rot. Bonds3

About 5-[(3R,5R)-1-[2-(azetidin-1-yl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile

5-[(3R,5R)-1-[2-(azetidin-1-yl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile (PubChem CID 134237236) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-[(3R,5R)-1-[2-(azetidin-1-yl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[(3R,5R)-1-[2-(azetidin-1-yl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile
PubChem CID134237236
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name5-[(3R,5R)-1-[2-(azetidin-1-yl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1C[C@H](c2ccc(C#N)c3ncccc23)CN(C(=O)CN2CCC2)C1
InChIInChI=1S/C21H24N4O/c1-15-10-17(13-25(12-15)20(26)14-24-8-3-9-24)18-6-5-16(11-22)21-19(18)4-2-7-23-21/h2,4-7,15,17H,3,8-10,12-14H2,1H3/t15-,17+/m1/s1
InChIKeyOYSGFGYUXORMAD-WBVHZDCISA-N
XLogP2.76
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3S)-5-methyl-1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]quinoline-8-carbonitrile
CID 134242487
5-[1-[2-(1-aminocyclopropyl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile
CID 134253889
5-[(3R,5R)-5-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperidin-3-yl]quinoline-8-carbonitrile
CID 134229159
5-[(3R,5R)-1-[2-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile
CID 134229304
5-[1-(4,4-difluorocyclohexanecarbonyl)-5-methylpiperidin-3-yl]quinoline-8-carbonitrile
CID 134229295
3-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-methylpropanamide
CID 134237253
2-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide
CID 134229268
2-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-methylpropanamide
CID 134229271
5-[1-[1-[2-(azetidin-1-yl)-3,4-dihydropyridin-5-yl]ethenyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile
CID 134254195
1-[(3R,5R)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone;1-[(3R,5S)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 158528192
1-[(3R,5R)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-2-cyclopropylethanone
CID 155462113
(3R,5R)-3-[8-(2H-azirin-2-yl)quinolin-5-yl]-5-methylpiperidine-1-carboxamide
CID 155461974

Frequently Asked Questions

What is the IUPAC name of 5-[(3R,5R)-1-[2-(azetidin-1-yl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[(3R,5R)-1-[2-(azetidin-1-yl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile (CID 134237236) is 5-[(3R,5R)-1-[2-(azetidin-1-yl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[(3R,5R)-1-[2-(azetidin-1-yl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[(3R,5R)-1-[2-(azetidin-1-yl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile is C[C@@H]1C[C@H](c2ccc(C#N)c3ncccc23)CN(C(=O)CN2CCC2)C1.
What is the InChIKey of 5-[(3R,5R)-1-[2-(azetidin-1-yl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile?
The InChIKey is OYSGFGYUXORMAD-WBVHZDCISA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-10-17(13-25(12-15)20(26)14-24-8-3-9-24)18-6-5-16(11-22)21-19(18)4-2-7-23-21/h2,4-7,15,17H,3,8-10,12-14H2,1H3/t15-,17+/m1/s1.
What are the key properties of 5-[(3R,5R)-1-[2-(azetidin-1-yl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile?
5-[(3R,5R)-1-[2-(azetidin-1-yl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile has a molecular weight of 348.45 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,5R)-1-[2-(azetidin-1-yl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 134237236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).