4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide

C19H22FN3O2 — CID 111109548

IUPAC4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccn1)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FN3O2/c20-16-6-4-14(5-7-16)18(24)15-8-11-23(12-9-15)19(25)22-13-17-3-1-2-10-21-17/h1-7,10,15,18,24H,8-9,11-13H2,(H,22,25)
InChIKeyVLDJLGBPVGSFIY-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.88
Rot. Bonds4

About 4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide

4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 111109548) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
PubChem CID111109548
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccn1)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FN3O2/c20-16-6-4-14(5-7-16)18(24)15-8-11-23(12-9-15)19(25)22-13-17-3-1-2-10-21-17/h1-7,10,15,18,24H,8-9,11-13H2,(H,22,25)
InChIKeyVLDJLGBPVGSFIY-UHFFFAOYSA-N
XLogP2.88
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Azaperol
CID 3080589
(S)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazin-1-yl)-butan-1-ol
CID 44350942
1-[(5-Fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea
CID 168290533
N-(4-tert-butylphenyl)-4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 25104369
N-(3-fluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 3230885
(7R,9S)-7-((4-phenylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 24894430
(7R,9S)-7-((4-o-tolylpiperazin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 24894647
1-(4-Fluoro-phenyl)-4-(5-fluoro-pyridin-2-yl)-4-piperazin-1-yl-butan-1-ol
CID 44298902
(R)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazin-1-yl)-butan-1-ol
CID 44350991
(7R,9S)-7-(((3S,4S)-4-(4-fluoro-2-methylphenyl)-3-hydroxypiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 44561020
4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoropyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 57770374
4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoropyridin-2-yl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 57770445

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide (CID 111109548) is 4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide is O=C(NCc1ccccn1)N1CCC(C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is VLDJLGBPVGSFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-16-6-4-14(5-7-16)18(24)15-8-11-23(12-9-15)19(25)22-13-17-3-1-2-10-21-17/h1-7,10,15,18,24H,8-9,11-13H2,(H,22,25).
What are the key properties of 4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide?
4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111109548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).