5-[(3S)-5-methyl-1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]quinoline-8-carbonitrile

C19H18F3N3O — CID 134242487

IUPAC5-[(3S)-5-methyl-1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]quinoline-8-carbonitrile
SMILESCC1C[C@@H](c2ccc(C#N)c3ncccc23)CN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C19H18F3N3O/c1-12-7-14(11-25(10-12)17(26)8-19(20,21)22)15-5-4-13(9-23)18-16(15)3-2-6-24-18/h2-6,12,14H,7-8,10-11H2,1H3/t12?,14-/m1/s1
InChIKeyIEVHQRUUJOZVSZ-TYZXPVIJSA-N
MW361.37 g/mol
LogP4.01
Rot. Bonds2

About 5-[(3S)-5-methyl-1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]quinoline-8-carbonitrile

5-[(3S)-5-methyl-1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]quinoline-8-carbonitrile (PubChem CID 134242487) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 5-[(3S)-5-methyl-1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[(3S)-5-methyl-1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]quinoline-8-carbonitrile
PubChem CID134242487
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name5-[(3S)-5-methyl-1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]quinoline-8-carbonitrile
SMILESCC1C[C@@H](c2ccc(C#N)c3ncccc23)CN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C19H18F3N3O/c1-12-7-14(11-25(10-12)17(26)8-19(20,21)22)15-5-4-13(9-23)18-16(15)3-2-6-24-18/h2-6,12,14H,7-8,10-11H2,1H3/t12?,14-/m1/s1
InChIKeyIEVHQRUUJOZVSZ-TYZXPVIJSA-N
XLogP4.01
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3R,5R)-1-[2-(azetidin-1-yl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile
CID 134237236
5-[1-[2-(1-aminocyclopropyl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile
CID 134253889
5-[(3R,5R)-1-[2-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile
CID 134229304
5-[(3R,5R)-5-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperidin-3-yl]quinoline-8-carbonitrile
CID 134229159
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-methylpropanamide
CID 134229271
2-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide
CID 134229268
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
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-[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-[(3S)-5-methyl-1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[(3S)-5-methyl-1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]quinoline-8-carbonitrile (CID 134242487) is 5-[(3S)-5-methyl-1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[(3S)-5-methyl-1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[(3S)-5-methyl-1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]quinoline-8-carbonitrile is CC1C[C@@H](c2ccc(C#N)c3ncccc23)CN(C(=O)CC(F)(F)F)C1.
What is the InChIKey of 5-[(3S)-5-methyl-1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]quinoline-8-carbonitrile?
The InChIKey is IEVHQRUUJOZVSZ-TYZXPVIJSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-12-7-14(11-25(10-12)17(26)8-19(20,21)22)15-5-4-13(9-23)18-16(15)3-2-6-24-18/h2-6,12,14H,7-8,10-11H2,1H3/t12?,14-/m1/s1.
What are the key properties of 5-[(3S)-5-methyl-1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]quinoline-8-carbonitrile?
5-[(3S)-5-methyl-1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]quinoline-8-carbonitrile has a molecular weight of 361.37 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-5-methyl-1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 134242487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).