3-fluoro-4-methoxy-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide

C16H23FN2O5S — CID 146075050

IUPAC3-fluoro-4-methoxy-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(OC)CCN(S(C)(=O)=O)CC2)cc1F
InChIInChI=1S/C16H23FN2O5S/c1-23-14-5-4-12(10-13(14)17)15(20)18-11-16(24-2)6-8-19(9-7-16)25(3,21)22/h4-5,10H,6-9,11H2,1-3H3,(H,18,20)
InChIKeyZOBRBIOXWAJJKU-UHFFFAOYSA-N
MW374.43 g/mol
LogP1.00
Rot. Bonds6

About 3-fluoro-4-methoxy-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide

3-fluoro-4-methoxy-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide (PubChem CID 146075050) has the molecular formula C16H23FN2O5S and a molecular weight of 374.43 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide
PubChem CID146075050
Molecular FormulaC16H23FN2O5S
Molecular Weight374.43 g/mol
Exact Mass374.13
IUPAC Name3-fluoro-4-methoxy-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(OC)CCN(S(C)(=O)=O)CC2)cc1F
InChIInChI=1S/C16H23FN2O5S/c1-23-14-5-4-12(10-13(14)17)15(20)18-11-16(24-2)6-8-19(9-7-16)25(3,21)22/h4-5,10H,6-9,11H2,1-3H3,(H,18,20)
InChIKeyZOBRBIOXWAJJKU-UHFFFAOYSA-N
XLogP1.00
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide
CID 146080554
N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 146080605
3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 17446987
2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164326
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114758932
3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028774
5-bromo-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide
CID 146075012
3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide
CID 129413929
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
3-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methoxybenzamide
CID 107301628
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416969

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide (CID 146075050) is 3-fluoro-4-methoxy-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide is COc1ccc(C(=O)NCC2(OC)CCN(S(C)(=O)=O)CC2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide?
The InChIKey is ZOBRBIOXWAJJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O5S/c1-23-14-5-4-12(10-13(14)17)15(20)18-11-16(24-2)6-8-19(9-7-16)25(3,21)22/h4-5,10H,6-9,11H2,1-3H3,(H,18,20).
What are the key properties of 3-fluoro-4-methoxy-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide?
3-fluoro-4-methoxy-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide has a molecular weight of 374.43 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 146075050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).