N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide

C22H22FN3O — CID 86961456

IUPACN-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)NC1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C22H22FN3O/c1-15-20(12-16-6-2-3-10-21(16)24-15)22(27)25-18-8-5-11-26(14-18)19-9-4-7-17(23)13-19/h2-4,6-7,9-10,12-13,18H,5,8,11,14H2,1H3,(H,25,27)
InChIKeyICENYFUHGBZAML-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.08
Rot. Bonds3

About N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide

N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide (PubChem CID 86961456) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide
PubChem CID86961456
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC NameN-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)NC1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C22H22FN3O/c1-15-20(12-16-6-2-3-10-21(16)24-15)22(27)25-18-8-5-11-26(14-18)19-9-4-7-17(23)13-19/h2-4,6-7,9-10,12-13,18H,5,8,11,14H2,1H3,(H,25,27)
InChIKeyICENYFUHGBZAML-UHFFFAOYSA-N
XLogP4.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-3-carboxamide
CID 126766818
N-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide
CID 86981138
N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95980409
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119884178
2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide
CID 86832456
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86962189
6-fluoro-N-[1-(3-methoxyphenyl)piperidin-3-yl]quinoline-8-carboxamide
CID 167744210
N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 166189320
2-fluoro-N-(1-phenylpiperidin-3-yl)benzamide
CID 136525999
2-(aminomethyl)-N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119884161
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119884155
4-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]pentanamide;dihydrochloride
CID 120565548

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide (CID 86961456) is N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide is Cc1nc2ccccc2cc1C(=O)NC1CCCN(c2cccc(F)c2)C1.
What is the InChIKey of N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide?
The InChIKey is ICENYFUHGBZAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-15-20(12-16-6-2-3-10-21(16)24-15)22(27)25-18-8-5-11-26(14-18)19-9-4-7-17(23)13-19/h2-4,6-7,9-10,12-13,18H,5,8,11,14H2,1H3,(H,25,27).
What are the key properties of N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide?
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 86961456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).