N-[4-(4-methylsulfonylphenoxy)phenyl]piperidine-2-carboxamide;hydrochloride

C19H23ClN2O4S — CID 119315410

IUPACN-[4-(4-methylsulfonylphenoxy)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(Oc2ccc(NC(=O)C3CCCCN3)cc2)cc1.Cl
InChIInChI=1S/C19H22N2O4S.ClH/c1-26(23,24)17-11-9-16(10-12-17)25-15-7-5-14(6-8-15)21-19(22)18-4-2-3-13-20-18;/h5-12,18,20H,2-4,13H2,1H3,(H,21,22);1H
InChIKeyCOGQQHYHJDBYFW-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.38
Rot. Bonds5

About N-[4-(4-methylsulfonylphenoxy)phenyl]piperidine-2-carboxamide;hydrochloride

N-[4-(4-methylsulfonylphenoxy)phenyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119315410) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is N-[4-(4-methylsulfonylphenoxy)phenyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-methylsulfonylphenoxy)phenyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119315410
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC NameN-[4-(4-methylsulfonylphenoxy)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(Oc2ccc(NC(=O)C3CCCCN3)cc2)cc1.Cl
InChIInChI=1S/C19H22N2O4S.ClH/c1-26(23,24)17-11-9-16(10-12-17)25-15-7-5-14(6-8-15)21-19(22)18-4-2-3-13-20-18;/h5-12,18,20H,2-4,13H2,1H3,(H,21,22);1H
InChIKeyCOGQQHYHJDBYFW-UHFFFAOYSA-N
XLogP3.38
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-methylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 119331523
(2R)-N-(4-phenoxyphenyl)piperidine-2-carboxamide;hydrochloride
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N-(4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 56832268
N-[4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43709925
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-2-carboxamide
CID 110462338
(2S)-N-[4-(ethylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103808975
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282547
(2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 61178611
N-[4-(2-methoxyethoxy)phenyl]piperidine-2-carboxamide
CID 43713427
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119280457

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylsulfonylphenoxy)phenyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(4-methylsulfonylphenoxy)phenyl]piperidine-2-carboxamide;hydrochloride (CID 119315410) is N-[4-(4-methylsulfonylphenoxy)phenyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(4-methylsulfonylphenoxy)phenyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(4-methylsulfonylphenoxy)phenyl]piperidine-2-carboxamide;hydrochloride is CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)C3CCCCN3)cc2)cc1.Cl.
What is the InChIKey of N-[4-(4-methylsulfonylphenoxy)phenyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is COGQQHYHJDBYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S.ClH/c1-26(23,24)17-11-9-16(10-12-17)25-15-7-5-14(6-8-15)21-19(22)18-4-2-3-13-20-18;/h5-12,18,20H,2-4,13H2,1H3,(H,21,22);1H.
What are the key properties of N-[4-(4-methylsulfonylphenoxy)phenyl]piperidine-2-carboxamide;hydrochloride?
N-[4-(4-methylsulfonylphenoxy)phenyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 410.92 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylsulfonylphenoxy)phenyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119315410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).