4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide

C19H20FN3O2 — CID 121108538

IUPAC4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(C(=O)c2ccncc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2/c20-17-3-1-15(2-4-17)18(24)22-13-14-7-11-23(12-8-14)19(25)16-5-9-21-10-6-16/h1-6,9-10,14H,7-8,11-13H2,(H,22,24)
InChIKeyVNQGJGKTJHHQLS-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.50
Rot. Bonds4

About 4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide

4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide (PubChem CID 121108538) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
PubChem CID121108538
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(C(=O)c2ccncc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2/c20-17-3-1-15(2-4-17)18(24)22-13-14-7-11-23(12-8-14)19(25)16-5-9-21-10-6-16/h1-6,9-10,14H,7-8,11-13H2,(H,22,24)
InChIKeyVNQGJGKTJHHQLS-UHFFFAOYSA-N
XLogP2.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
ethyl [4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methylcarbamoyl]phenyl] carbonate
CID 108930107
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110639067
tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
CID 2810466
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
CID 53312688
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 81483492
4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047
methyl 4-[(3R)-3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 42157752
N'-(2-fluorophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 121107584
methyl 4-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 24817518
1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108676

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide (CID 121108538) is 4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(C(=O)c2ccncc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is VNQGJGKTJHHQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-17-3-1-15(2-4-17)18(24)22-13-14-7-11-23(12-8-14)19(25)16-5-9-21-10-6-16/h1-6,9-10,14H,7-8,11-13H2,(H,22,24).
What are the key properties of 4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide?
4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 341.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 121108538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).