1-[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-4-methylpiperidine-4-carboxamide

C20H22FN3O2 — CID 110090407

IUPAC1-[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(N)=O)CCN(C(=O)c2ccnc(Cc3cccc(F)c3)c2)CC1
InChIInChI=1S/C20H22FN3O2/c1-20(19(22)26)6-9-24(10-7-20)18(25)15-5-8-23-17(13-15)12-14-3-2-4-16(21)11-14/h2-5,8,11,13H,6-7,9-10,12H2,1H3,(H2,22,26)
InChIKeyWNRSYLZDMCFUFO-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.54
Rot. Bonds4

About 1-[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-4-methylpiperidine-4-carboxamide

1-[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-4-methylpiperidine-4-carboxamide (PubChem CID 110090407) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 1-[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-4-methylpiperidine-4-carboxamide
PubChem CID110090407
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name1-[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(N)=O)CCN(C(=O)c2ccnc(Cc3cccc(F)c3)c2)CC1
InChIInChI=1S/C20H22FN3O2/c1-20(19(22)26)6-9-24(10-7-20)18(25)15-5-8-23-17(13-15)12-14-3-2-4-16(21)11-14/h2-5,8,11,13H,6-7,9-10,12H2,1H3,(H2,22,26)
InChIKeyWNRSYLZDMCFUFO-UHFFFAOYSA-N
XLogP2.54
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-4-methylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4aS,8aR)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-[2-[(3-fluorophenyl)methyl]-4-pyridinyl]methanone
CID 110133490
(5S)-7-[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125018428
1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162552
[2-[(3-fluorophenyl)methyl]-4-pyridinyl]-[4-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 110152225
[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[2-[(3-fluorophenyl)methyl]-4-pyridinyl]methanone
CID 129455330
2-[(3-fluorophenyl)methyl]-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 110111970
1-(2-bromopyridine-4-carbonyl)-3-methylpyrrolidine-3-carboxamide
CID 114081850
[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-pyridinyl]methanone
CID 129453940
(3-fluorophenyl)-[4-methyl-4-[(3R)-3-(pyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 124985103
(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103726936
1-[4-(3-fluorophenyl)-3-methylbutanoyl]-3-methylazetidine-3-carboxamide
CID 126819981
(2,3-dimethylquinoxalin-6-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone
CID 139007249

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-4-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-4-methylpiperidine-4-carboxamide (CID 110090407) is 1-[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-4-methylpiperidine-4-carboxamide is CC1(C(N)=O)CCN(C(=O)c2ccnc(Cc3cccc(F)c3)c2)CC1.
What is the InChIKey of 1-[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-4-methylpiperidine-4-carboxamide?
The InChIKey is WNRSYLZDMCFUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-20(19(22)26)6-9-24(10-7-20)18(25)15-5-8-23-17(13-15)12-14-3-2-4-16(21)11-14/h2-5,8,11,13H,6-7,9-10,12H2,1H3,(H2,22,26).
What are the key properties of 1-[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-4-methylpiperidine-4-carboxamide?
1-[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-4-methylpiperidine-4-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 110090407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).