6-fluoro-N-[1-(3-methoxyphenyl)piperidin-3-yl]quinoline-8-carboxamide

C22H22FN3O2 — CID 167744210

IUPAC6-fluoro-N-[1-(3-methoxyphenyl)piperidin-3-yl]quinoline-8-carboxamide
SMILESCOc1cccc(N2CCCC(NC(=O)c3cc(F)cc4cccnc34)C2)c1
InChIInChI=1S/C22H22FN3O2/c1-28-19-8-2-7-18(13-19)26-10-4-6-17(14-26)25-22(27)20-12-16(23)11-15-5-3-9-24-21(15)20/h2-3,5,7-9,11-13,17H,4,6,10,14H2,1H3,(H,25,27)
InChIKeyYABLNJJPDDCNSM-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.78
Rot. Bonds4

About 6-fluoro-N-[1-(3-methoxyphenyl)piperidin-3-yl]quinoline-8-carboxamide

6-fluoro-N-[1-(3-methoxyphenyl)piperidin-3-yl]quinoline-8-carboxamide (PubChem CID 167744210) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 6-fluoro-N-[1-(3-methoxyphenyl)piperidin-3-yl]quinoline-8-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[1-(3-methoxyphenyl)piperidin-3-yl]quinoline-8-carboxamide
PubChem CID167744210
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name6-fluoro-N-[1-(3-methoxyphenyl)piperidin-3-yl]quinoline-8-carboxamide
SMILESCOc1cccc(N2CCCC(NC(=O)c3cc(F)cc4cccnc34)C2)c1
InChIInChI=1S/C22H22FN3O2/c1-28-19-8-2-7-18(13-19)26-10-4-6-17(14-26)25-22(27)20-12-16(23)11-15-5-3-9-24-21(15)20/h2-3,5,7-9,11-13,17H,4,6,10,14H2,1H3,(H,25,27)
InChIKeyYABLNJJPDDCNSM-UHFFFAOYSA-N
XLogP3.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
2-cyclopropyl-2-methoxy-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 136538572
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide
CID 86961456
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 119032835
(E)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide
CID 98512279
(Z)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide
CID 100831445
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-2-(3-methyl-4-pyridinyl)acetamide
CID 124618191
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119884178
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 119884246
6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053861
1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea
CID 136526374

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(3-methoxyphenyl)piperidin-3-yl]quinoline-8-carboxamide?
The IUPAC name of 6-fluoro-N-[1-(3-methoxyphenyl)piperidin-3-yl]quinoline-8-carboxamide (CID 167744210) is 6-fluoro-N-[1-(3-methoxyphenyl)piperidin-3-yl]quinoline-8-carboxamide.
What is the SMILES notation for 6-fluoro-N-[1-(3-methoxyphenyl)piperidin-3-yl]quinoline-8-carboxamide?
The canonical SMILES for 6-fluoro-N-[1-(3-methoxyphenyl)piperidin-3-yl]quinoline-8-carboxamide is COc1cccc(N2CCCC(NC(=O)c3cc(F)cc4cccnc34)C2)c1.
What is the InChIKey of 6-fluoro-N-[1-(3-methoxyphenyl)piperidin-3-yl]quinoline-8-carboxamide?
The InChIKey is YABLNJJPDDCNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-28-19-8-2-7-18(13-19)26-10-4-6-17(14-26)25-22(27)20-12-16(23)11-15-5-3-9-24-21(15)20/h2-3,5,7-9,11-13,17H,4,6,10,14H2,1H3,(H,25,27).
What are the key properties of 6-fluoro-N-[1-(3-methoxyphenyl)piperidin-3-yl]quinoline-8-carboxamide?
6-fluoro-N-[1-(3-methoxyphenyl)piperidin-3-yl]quinoline-8-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(3-methoxyphenyl)piperidin-3-yl]quinoline-8-carboxamide is sourced from PubChem (CID 167744210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).