N-[4-(3-methylsulfonylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride

C19H23ClN2O4S — CID 119331518

IUPACN-[4-(3-methylsulfonylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCS(=O)(=O)c1cccc(Oc2ccc(NC(=O)C3CCNCC3)cc2)c1.Cl
InChIInChI=1S/C19H22N2O4S.ClH/c1-26(23,24)18-4-2-3-17(13-18)25-16-7-5-15(6-8-16)21-19(22)14-9-11-20-12-10-14;/h2-8,13-14,20H,9-12H2,1H3,(H,21,22);1H
InChIKeyACKOSBZVGYWQIM-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.24
Rot. Bonds5

About N-[4-(3-methylsulfonylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride

N-[4-(3-methylsulfonylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119331518) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is N-[4-(3-methylsulfonylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(3-methylsulfonylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119331518
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC NameN-[4-(3-methylsulfonylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCS(=O)(=O)c1cccc(Oc2ccc(NC(=O)C3CCNCC3)cc2)c1.Cl
InChIInChI=1S/C19H22N2O4S.ClH/c1-26(23,24)18-4-2-3-17(13-18)25-16-7-5-15(6-8-16)21-19(22)14-9-11-20-12-10-14;/h2-8,13-14,20H,9-12H2,1H3,(H,21,22);1H
InChIKeyACKOSBZVGYWQIM-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-methylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 119331523
N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266283
N-[4-(3-fluorophenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119299172
(2R,3S)-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide
CID 120934345
(3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide
CID 124687466
N-[4-(2-methoxyphenoxy)phenyl]piperidine-4-carboxamide
CID 119275432
3-amino-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]butanamide;hydrochloride
CID 120501352
4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide
CID 4139874
N-[4-(4-methylsulfonylphenoxy)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119315410
N-[4-(3-fluorophenoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119299176
(2S,4S)-N-[4-(3-methoxyphenoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120624482
N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-4-carboxamide
CID 119340024

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylsulfonylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(3-methylsulfonylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride (CID 119331518) is N-[4-(3-methylsulfonylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(3-methylsulfonylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(3-methylsulfonylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride is CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)C3CCNCC3)cc2)c1.Cl.
What is the InChIKey of N-[4-(3-methylsulfonylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is ACKOSBZVGYWQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S.ClH/c1-26(23,24)18-4-2-3-17(13-18)25-16-7-5-15(6-8-16)21-19(22)14-9-11-20-12-10-14;/h2-8,13-14,20H,9-12H2,1H3,(H,21,22);1H.
What are the key properties of N-[4-(3-methylsulfonylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
N-[4-(3-methylsulfonylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 410.92 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylsulfonylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119331518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).