4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide

C20H22FN3O2 — CID 25481314

IUPAC4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide
SMILESCc1cccc(C(=O)N2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C20H22FN3O2/c1-14-4-2-6-18(23-14)20(26)24-11-3-5-15(13-24)12-22-19(25)16-7-9-17(21)10-8-16/h2,4,6-10,15H,3,5,11-13H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyPUIPVZIFVOPUKA-OAHLLOKOSA-N
MW355.41 g/mol
LogP2.81
Rot. Bonds4

About 4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide

4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide (PubChem CID 25481314) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide
PubChem CID25481314
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide
SMILESCc1cccc(C(=O)N2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C20H22FN3O2/c1-14-4-2-6-18(23-14)20(26)24-11-3-5-15(13-24)12-22-19(25)16-7-9-17(21)10-8-16/h2,4,6-10,15H,3,5,11-13H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyPUIPVZIFVOPUKA-OAHLLOKOSA-N
XLogP2.81
TPSA62.30 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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide with MolForge

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Related Compounds

methyl 4-[(3R)-3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 42157752
methyl 4-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 24817518
4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide
CID 42592562
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119
N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 45208544
4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide
CID 42356810
4-fluoro-N-[[(3S)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]methyl]benzamide
CID 42286302
N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 24790363
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
N-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 26323586
6-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119184579
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide (CID 25481314) is 4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide is Cc1cccc(C(=O)N2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)n1.
What is the InChIKey of 4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is PUIPVZIFVOPUKA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-14-4-2-6-18(23-14)20(26)24-11-3-5-15(13-24)12-22-19(25)16-7-9-17(21)10-8-16/h2,4,6-10,15H,3,5,11-13H2,1H3,(H,22,25)/t15-/m1/s1.
What are the key properties of 4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide?
4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 355.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 25481314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).