N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide

C20H30FN3O4S — CID 55958260

IUPACN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc1F
InChIInChI=1S/C20H30FN3O4S/c1-28-19-4-3-15(13-18(19)21)14-23-9-7-17(8-10-23)22-20(25)16-5-11-24(12-6-16)29(2,26)27/h3-4,13,16-17H,5-12,14H2,1-2H3,(H,22,25)
InChIKeyVKCKCXODXZHLIM-UHFFFAOYSA-N
MW427.54 g/mol
LogP1.59
Rot. Bonds6

About N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 55958260) has the molecular formula C20H30FN3O4S and a molecular weight of 427.54 g/mol. Its IUPAC name is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID55958260
Molecular FormulaC20H30FN3O4S
Molecular Weight427.54 g/mol
Exact Mass427.19
IUPAC NameN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc1F
InChIInChI=1S/C20H30FN3O4S/c1-28-19-4-3-15(13-18(19)21)14-23-9-7-17(8-10-23)22-20(25)16-5-11-24(12-6-16)29(2,26)27/h3-4,13,16-17H,5-12,14H2,1-2H3,(H,22,25)
InChIKeyVKCKCXODXZHLIM-UHFFFAOYSA-N
XLogP1.59
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.54
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,2S)-2-amino-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
CID 124687769
1-(2-fluorophenyl)sulfonyl-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 55945570
4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 55959016
4-(dimethylamino)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55957357
1-(3-chloro-4-methylphenyl)-3-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]urea
CID 55817120
(2S)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 55958130
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55958505
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,3-dimethylbenzamide
CID 55957612
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea
CID 55819274
3-(dimethylsulfamoyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4,5-dimethylbenzamide
CID 55957487
1-(2,5-difluorophenyl)sulfonyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 55960697
4-acetyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 55909424

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide (CID 55958260) is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide is COc1ccc(CN2CCC(NC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc1F.
What is the InChIKey of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is VKCKCXODXZHLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O4S/c1-28-19-4-3-15(13-18(19)21)14-23-9-7-17(8-10-23)22-20(25)16-5-11-24(12-6-16)29(2,26)27/h3-4,13,16-17H,5-12,14H2,1-2H3,(H,22,25).
What are the key properties of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 427.54 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55958260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).