1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C22H23FN4O — CID 55923455

IUPAC1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(Cc3cc(F)cc4cccnc34)CC2)c1
InChIInChI=1S/C22H23FN4O/c1-15-4-8-24-20(11-15)26-22(28)16-5-9-27(10-6-16)14-18-13-19(23)12-17-3-2-7-25-21(17)18/h2-4,7-8,11-13,16H,5-6,9-10,14H2,1H3,(H,24,26,28)
InChIKeyTXJGLHBYFPZJCA-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.93
Rot. Bonds4

About 1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55923455) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55923455
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(Cc3cc(F)cc4cccnc34)CC2)c1
InChIInChI=1S/C22H23FN4O/c1-15-4-8-24-20(11-15)26-22(28)16-5-9-27(10-6-16)14-18-13-19(23)12-17-3-2-7-25-21(17)18/h2-4,7-8,11-13,16H,5-6,9-10,14H2,1H3,(H,24,26,28)
InChIKeyTXJGLHBYFPZJCA-UHFFFAOYSA-N
XLogP3.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-fluorophenyl)phenyl]-1-(quinolin-8-ylmethyl)piperidine-4-carboxamide
CID 25455158
N-[1-[(6-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49446677
1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 17019017
N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 55922165
1-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55816268
1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55816301
1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-methoxyethanone
CID 56813387
1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 56525149
N-(4-methyl-2-pyridinyl)-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
CID 55923069
2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648296
1-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784462
N-(4-methyl-2-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide
CID 55921774

Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55923455) is 1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(Cc3cc(F)cc4cccnc34)CC2)c1.
What is the InChIKey of 1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is TXJGLHBYFPZJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-15-4-8-24-20(11-15)26-22(28)16-5-9-27(10-6-16)14-18-13-19(23)12-17-3-2-7-25-21(17)18/h2-4,7-8,11-13,16H,5-6,9-10,14H2,1H3,(H,24,26,28).
What are the key properties of 1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55923455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).