N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide

C15H22FN3O4S — CID 120619844

IUPACN-[4-fluoro-3-(methanesulfonamido)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)CCNCC1
InChIInChI=1S/C15H22FN3O4S/c1-23-10-15(5-7-17-8-6-15)14(20)18-11-3-4-12(16)13(9-11)19-24(2,21)22/h3-4,9,17,19H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyKWIJCMUQPNSIOK-UHFFFAOYSA-N
MW359.42 g/mol
LogP1.15
Rot. Bonds6

About N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120619844) has the molecular formula C15H22FN3O4S and a molecular weight of 359.42 g/mol. Its IUPAC name is N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(methanesulfonamido)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120619844
Molecular FormulaC15H22FN3O4S
Molecular Weight359.42 g/mol
Exact Mass359.13
IUPAC NameN-[4-fluoro-3-(methanesulfonamido)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)CCNCC1
InChIInChI=1S/C15H22FN3O4S/c1-23-10-15(5-7-17-8-6-15)14(20)18-11-3-4-12(16)13(9-11)19-24(2,21)22/h3-4,9,17,19H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyKWIJCMUQPNSIOK-UHFFFAOYSA-N
XLogP1.15
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120635085
4-(methoxymethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 120618122
N-(4-acetamido-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621053
N-[3-(difluoromethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120630102
N-(2,3-dihydro-1H-inden-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616974
N-[4-chloro-3-(methylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120624242
1-cyano-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 31836255
N-[4-(cyclopropylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120619359
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
N-(2,3-difluorophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620409
dimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 120616457
N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120618116

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120619844) is N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)CCNCC1.
What is the InChIKey of N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is KWIJCMUQPNSIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O4S/c1-23-10-15(5-7-17-8-6-15)14(20)18-11-3-4-12(16)13(9-11)19-24(2,21)22/h3-4,9,17,19H,5-8,10H2,1-2H3,(H,18,20).
What are the key properties of N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 359.42 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120619844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).