3-[(3S)-1-(6-fluoro-4-methylquinolin-2-yl)piperidin-3-yl]-N,N-dimethylpropanamide

C20H26FN3O — CID 97443721

IUPAC3-[(3S)-1-(6-fluoro-4-methylquinolin-2-yl)piperidin-3-yl]-N,N-dimethylpropanamide
SMILESCc1cc(N2CCC[C@@H](CCC(=O)N(C)C)C2)nc2ccc(F)cc12
InChIInChI=1S/C20H26FN3O/c1-14-11-19(22-18-8-7-16(21)12-17(14)18)24-10-4-5-15(13-24)6-9-20(25)23(2)3/h7-8,11-12,15H,4-6,9-10,13H2,1-3H3/t15-/m0/s1
InChIKeyWTJSNDSCFDEVDK-HNNXBMFYSA-N
MW343.45 g/mol
LogP3.77
Rot. Bonds4

About 3-[(3S)-1-(6-fluoro-4-methylquinolin-2-yl)piperidin-3-yl]-N,N-dimethylpropanamide

3-[(3S)-1-(6-fluoro-4-methylquinolin-2-yl)piperidin-3-yl]-N,N-dimethylpropanamide (PubChem CID 97443721) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 3-[(3S)-1-(6-fluoro-4-methylquinolin-2-yl)piperidin-3-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3S)-1-(6-fluoro-4-methylquinolin-2-yl)piperidin-3-yl]-N,N-dimethylpropanamide
PubChem CID97443721
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name3-[(3S)-1-(6-fluoro-4-methylquinolin-2-yl)piperidin-3-yl]-N,N-dimethylpropanamide
SMILESCc1cc(N2CCC[C@@H](CCC(=O)N(C)C)C2)nc2ccc(F)cc12
InChIInChI=1S/C20H26FN3O/c1-14-11-19(22-18-8-7-16(21)12-17(14)18)24-10-4-5-15(13-24)6-9-20(25)23(2)3/h7-8,11-12,15H,4-6,9-10,13H2,1-3H3/t15-/m0/s1
InChIKeyWTJSNDSCFDEVDK-HNNXBMFYSA-N
XLogP3.77
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-[3-(dimethylamino)-3-oxopropyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 72850417
6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline
CID 46891905
6-fluoro-4-methyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid
CID 46891902
(3R,4S)-1-(6-fluoro-4-methylquinolin-2-yl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 157017760
2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline
CID 97209448
2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline
CID 72934277
N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide
CID 15995206
3-[1-(2,4-dimethylphenyl)piperidin-3-yl]propanoic acid
CID 117002672
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166603435
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166606135
3-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]propanoic acid
CID 104605891
6-fluoro-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 53016826

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(6-fluoro-4-methylquinolin-2-yl)piperidin-3-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(3S)-1-(6-fluoro-4-methylquinolin-2-yl)piperidin-3-yl]-N,N-dimethylpropanamide (CID 97443721) is 3-[(3S)-1-(6-fluoro-4-methylquinolin-2-yl)piperidin-3-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(3S)-1-(6-fluoro-4-methylquinolin-2-yl)piperidin-3-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(3S)-1-(6-fluoro-4-methylquinolin-2-yl)piperidin-3-yl]-N,N-dimethylpropanamide is Cc1cc(N2CCC[C@@H](CCC(=O)N(C)C)C2)nc2ccc(F)cc12.
What is the InChIKey of 3-[(3S)-1-(6-fluoro-4-methylquinolin-2-yl)piperidin-3-yl]-N,N-dimethylpropanamide?
The InChIKey is WTJSNDSCFDEVDK-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-14-11-19(22-18-8-7-16(21)12-17(14)18)24-10-4-5-15(13-24)6-9-20(25)23(2)3/h7-8,11-12,15H,4-6,9-10,13H2,1-3H3/t15-/m0/s1.
What are the key properties of 3-[(3S)-1-(6-fluoro-4-methylquinolin-2-yl)piperidin-3-yl]-N,N-dimethylpropanamide?
3-[(3S)-1-(6-fluoro-4-methylquinolin-2-yl)piperidin-3-yl]-N,N-dimethylpropanamide has a molecular weight of 343.45 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(6-fluoro-4-methylquinolin-2-yl)piperidin-3-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 97443721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).