4-methoxy-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]piperidine-4-carboxamide;hydrochloride

C18H29ClN2O5S — CID 119753760

IUPAC4-methoxy-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)N(C)CCCOc2cccc(S(C)(=O)=O)c2)CCNCC1.Cl
InChIInChI=1S/C18H28N2O5S.ClH/c1-20(17(21)18(24-2)8-10-19-11-9-18)12-5-13-25-15-6-4-7-16(14-15)26(3,22)23;/h4,6-7,14,19H,5,8-13H2,1-3H3;1H
InChIKeyZAZUYHSVVLXHGH-UHFFFAOYSA-N
MW420.96 g/mol
LogP1.51
Rot. Bonds8

About 4-methoxy-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]piperidine-4-carboxamide;hydrochloride

4-methoxy-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119753760) has the molecular formula C18H29ClN2O5S and a molecular weight of 420.96 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119753760
Molecular FormulaC18H29ClN2O5S
Molecular Weight420.96 g/mol
Exact Mass420.15
IUPAC Name4-methoxy-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)N(C)CCCOc2cccc(S(C)(=O)=O)c2)CCNCC1.Cl
InChIInChI=1S/C18H28N2O5S.ClH/c1-20(17(21)18(24-2)8-10-19-11-9-18)12-5-13-25-15-6-4-7-16(14-15)26(3,22)23;/h4,6-7,14,19H,5,8-13H2,1-3H3;1H
InChIKeyZAZUYHSVVLXHGH-UHFFFAOYSA-N
XLogP1.51
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 119695687
(2S)-2-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]propanamide;hydrochloride
CID 119306134
N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119683709
N,3-dimethyl-N-[3-(3-methylsulfonylphenoxy)propyl]butanamide
CID 49009562
N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119306128
(2S)-2-amino-N,4-dimethyl-N-[3-(3-methylsulfonylphenoxy)propyl]pentanamide;hydrochloride
CID 119753772
2-(4-aminophenyl)-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]acetamide;hydrochloride
CID 119753730
N-butyl-4-methoxy-N-methylpiperidine-4-carboxamide
CID 119672323
3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119753734
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119845776
(2S)-2-[3-(3-methylsulfonylphenoxy)propyl]-1-oxa-8-azaspiro[4.5]decan-2-ol
CID 153279834
4-(3-methylsulfonylphenoxy)butan-1-ol
CID 43612928

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]piperidine-4-carboxamide;hydrochloride (CID 119753760) is 4-methoxy-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]piperidine-4-carboxamide;hydrochloride is COC1(C(=O)N(C)CCCOc2cccc(S(C)(=O)=O)c2)CCNCC1.Cl.
What is the InChIKey of 4-methoxy-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is ZAZUYHSVVLXHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S.ClH/c1-20(17(21)18(24-2)8-10-19-11-9-18)12-5-13-25-15-6-4-7-16(14-15)26(3,22)23;/h4,6-7,14,19H,5,8-13H2,1-3H3;1H.
What are the key properties of 4-methoxy-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]piperidine-4-carboxamide;hydrochloride?
4-methoxy-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 420.96 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119753760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).