1-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-4-phenylpiperidine-4-carboxamide

C23H30N2O4S — CID 78816447

IUPAC1-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-4-phenylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCOc2cccc(C)c2)(c2ccccc2)CC1
InChIInChI=1S/C23H30N2O4S/c1-3-30(27,28)25-15-12-23(13-16-25,20-9-5-4-6-10-20)22(26)24-14-17-29-21-11-7-8-19(2)18-21/h4-11,18H,3,12-17H2,1-2H3,(H,24,26)
InChIKeyJZJMZQFERMYALW-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.87
Rot. Bonds8

About 1-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-4-phenylpiperidine-4-carboxamide

1-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 78816447) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-4-phenylpiperidine-4-carboxamide
PubChem CID78816447
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name1-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-4-phenylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCOc2cccc(C)c2)(c2ccccc2)CC1
InChIInChI=1S/C23H30N2O4S/c1-3-30(27,28)25-15-12-23(13-16-25,20-9-5-4-6-10-20)22(26)24-14-17-29-21-11-7-8-19(2)18-21/h4-11,18H,3,12-17H2,1-2H3,(H,24,26)
InChIKeyJZJMZQFERMYALW-UHFFFAOYSA-N
XLogP2.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethylsulfonyl-N-(3-phenoxypropyl)-4-phenylpiperidine-4-carboxamide
CID 78819852
N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78878249
N-[(3-ethoxyphenyl)methyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78887706
N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994
1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide
CID 78816293
N-(3-cyclohexyloxypropyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78840882
N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 100543641
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816298
N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816047
1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide
CID 78816036
N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide
CID 33175947
1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide
CID 78837890

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-4-phenylpiperidine-4-carboxamide (CID 78816447) is 1-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-4-phenylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCCOc2cccc(C)c2)(c2ccccc2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is JZJMZQFERMYALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-3-30(27,28)25-15-12-23(13-16-25,20-9-5-4-6-10-20)22(26)24-14-17-29-21-11-7-8-19(2)18-21/h4-11,18H,3,12-17H2,1-2H3,(H,24,26).
What are the key properties of 1-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-4-phenylpiperidine-4-carboxamide?
1-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 78816447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).