4-(difluoromethoxy)-N-[[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]piperidin-4-yl]methyl]-N-methylbenzamide

C26H26F3N3O3 — CID 176815247

IUPAC4-(difluoromethoxy)-N-[[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]piperidin-4-yl]methyl]-N-methylbenzamide
SMILESCN(CC1CCN(c2ccc(-n3ccccc3=O)cc2F)CC1)C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C26H26F3N3O3/c1-30(25(34)19-5-8-21(9-6-19)35-26(28)29)17-18-11-14-31(15-12-18)23-10-7-20(16-22(23)27)32-13-3-2-4-24(32)33/h2-10,13,16,18,26H,11-12,14-15,17H2,1H3
InChIKeyAKBZYZOYLZSPGL-UHFFFAOYSA-N
MW485.51 g/mol
LogP4.57
Rot. Bonds7

About 4-(difluoromethoxy)-N-[[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]piperidin-4-yl]methyl]-N-methylbenzamide

4-(difluoromethoxy)-N-[[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]piperidin-4-yl]methyl]-N-methylbenzamide (PubChem CID 176815247) has the molecular formula C26H26F3N3O3 and a molecular weight of 485.51 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]piperidin-4-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]piperidin-4-yl]methyl]-N-methylbenzamide
PubChem CID176815247
Molecular FormulaC26H26F3N3O3
Molecular Weight485.51 g/mol
Exact Mass485.19
IUPAC Name4-(difluoromethoxy)-N-[[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]piperidin-4-yl]methyl]-N-methylbenzamide
SMILESCN(CC1CCN(c2ccc(-n3ccccc3=O)cc2F)CC1)C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C26H26F3N3O3/c1-30(25(34)19-5-8-21(9-6-19)35-26(28)29)17-18-11-14-31(15-12-18)23-10-7-20(16-22(23)27)32-13-3-2-4-24(32)33/h2-10,13,16,18,26H,11-12,14-15,17H2,1H3
InChIKeyAKBZYZOYLZSPGL-UHFFFAOYSA-N
XLogP4.57
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethoxy)-N-methyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 96581020
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-(difluoromethoxy)-N-methylbenzamide
CID 131910552
1-[3-fluoro-4-[4-[[[1-[4-(hydroxymethyl)phenyl]-2-pyridazin-3-ylethyl]-methylamino]methyl]piperidin-1-yl]phenyl]pyridin-2-one
CID 176815290
4-(difluoromethoxy)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methylbenzamide
CID 31975786
methyl 4-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylcarbamoyl]benzoate
CID 25446804
4-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63236434
4-(4-benzylpiperidin-1-yl)-3-fluorobenzamide
CID 91071189
N-[3-fluoro-4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-N-methyl-4-phenoxybenzamide
CID 58867111
4-[4-[(dipropylamino)methyl]piperidin-1-yl]-3-fluorobenzoic acid
CID 156711612
N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide
CID 58778144
1-[4-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-3-fluorophenyl]ethanone
CID 18120080
4-[(2-fluorophenyl)methoxy]-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide
CID 99974557

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]piperidin-4-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]piperidin-4-yl]methyl]-N-methylbenzamide (CID 176815247) is 4-(difluoromethoxy)-N-[[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]piperidin-4-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]piperidin-4-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]piperidin-4-yl]methyl]-N-methylbenzamide is CN(CC1CCN(c2ccc(-n3ccccc3=O)cc2F)CC1)C(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]piperidin-4-yl]methyl]-N-methylbenzamide?
The InChIKey is AKBZYZOYLZSPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O3/c1-30(25(34)19-5-8-21(9-6-19)35-26(28)29)17-18-11-14-31(15-12-18)23-10-7-20(16-22(23)27)32-13-3-2-4-24(32)33/h2-10,13,16,18,26H,11-12,14-15,17H2,1H3.
What are the key properties of 4-(difluoromethoxy)-N-[[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]piperidin-4-yl]methyl]-N-methylbenzamide?
4-(difluoromethoxy)-N-[[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]piperidin-4-yl]methyl]-N-methylbenzamide has a molecular weight of 485.51 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]piperidin-4-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 176815247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).