6-fluoro-2,3-dimethoxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide

C21H26FN3O3 — CID 119045458

IUPAC6-fluoro-2,3-dimethoxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide
SMILESCOc1ccc(F)c(C(=O)NC2CCN(CCc3ccncc3)CC2)c1OC
InChIInChI=1S/C21H26FN3O3/c1-27-18-4-3-17(22)19(20(18)28-2)21(26)24-16-8-13-25(14-9-16)12-7-15-5-10-23-11-6-15/h3-6,10-11,16H,7-9,12-14H2,1-2H3,(H,24,26)
InChIKeyVBLRVYZAOYHEBN-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.67
Rot. Bonds7

About 6-fluoro-2,3-dimethoxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide

6-fluoro-2,3-dimethoxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide (PubChem CID 119045458) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 6-fluoro-2,3-dimethoxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name6-fluoro-2,3-dimethoxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide
PubChem CID119045458
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name6-fluoro-2,3-dimethoxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide
SMILESCOc1ccc(F)c(C(=O)NC2CCN(CCc3ccncc3)CC2)c1OC
InChIInChI=1S/C21H26FN3O3/c1-27-18-4-3-17(22)19(20(18)28-2)21(26)24-16-8-13-25(14-9-16)12-7-15-5-10-23-11-6-15/h3-6,10-11,16H,7-9,12-14H2,1-2H3,(H,24,26)
InChIKeyVBLRVYZAOYHEBN-UHFFFAOYSA-N
XLogP2.67
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-chloro-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide
CID 86878046
5-propan-2-yl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 119043018
(2R)-2-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]pentanamide
CID 95279933
N-[1-(2-aminoethyl)piperidin-4-yl]-2,6-difluoro-3-methylbenzamide
CID 82797720
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 51105910
1-(1-hydroxybutan-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 110922221
N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249951
N-(1-butylpiperidin-4-yl)-1,3-dimethoxynaphthalene-2-carboxamide;hydrochloride
CID 67615347
N-[(2R)-1-methoxypropan-2-yl]-1-(2-pyridin-4-ylethyl)piperidin-4-amine
CID 97231228
1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea
CID 95336201
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide
CID 21413251
2-methyl-5-oxo-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 119043237

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3-dimethoxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide?
The IUPAC name of 6-fluoro-2,3-dimethoxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide (CID 119045458) is 6-fluoro-2,3-dimethoxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 6-fluoro-2,3-dimethoxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide?
The canonical SMILES for 6-fluoro-2,3-dimethoxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide is COc1ccc(F)c(C(=O)NC2CCN(CCc3ccncc3)CC2)c1OC.
What is the InChIKey of 6-fluoro-2,3-dimethoxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide?
The InChIKey is VBLRVYZAOYHEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-27-18-4-3-17(22)19(20(18)28-2)21(26)24-16-8-13-25(14-9-16)12-7-15-5-10-23-11-6-15/h3-6,10-11,16H,7-9,12-14H2,1-2H3,(H,24,26).
What are the key properties of 6-fluoro-2,3-dimethoxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide?
6-fluoro-2,3-dimethoxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide has a molecular weight of 387.46 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3-dimethoxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 119045458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).