N-(3-cyclohexyloxypropyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide

C23H36N2O4S — CID 78840882

IUPACN-(3-cyclohexyloxypropyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCCOC2CCCCC2)(c2ccccc2)CC1
InChIInChI=1S/C23H36N2O4S/c1-2-30(27,28)25-17-14-23(15-18-25,20-10-5-3-6-11-20)22(26)24-16-9-19-29-21-12-7-4-8-13-21/h3,5-6,10-11,21H,2,4,7-9,12-19H2,1H3,(H,24,26)
InChIKeyILHNRLNORVEFQH-UHFFFAOYSA-N
MW436.62 g/mol
LogP3.23
Rot. Bonds9

About N-(3-cyclohexyloxypropyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide

N-(3-cyclohexyloxypropyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide (PubChem CID 78840882) has the molecular formula C23H36N2O4S and a molecular weight of 436.62 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
PubChem CID78840882
Molecular FormulaC23H36N2O4S
Molecular Weight436.62 g/mol
Exact Mass436.24
IUPAC NameN-(3-cyclohexyloxypropyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCCOC2CCCCC2)(c2ccccc2)CC1
InChIInChI=1S/C23H36N2O4S/c1-2-30(27,28)25-17-14-23(15-18-25,20-10-5-3-6-11-20)22(26)24-16-9-19-29-21-12-7-4-8-13-21/h3,5-6,10-11,21H,2,4,7-9,12-19H2,1H3,(H,24,26)
InChIKeyILHNRLNORVEFQH-UHFFFAOYSA-N
XLogP3.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.62
LogP ≤ 53.23
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-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide
CID 39950504
1-ethylsulfonyl-N-(3-phenoxypropyl)-4-phenylpiperidine-4-carboxamide
CID 78819852
N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994
1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide
CID 78837890
N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78878249
N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816047
1-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-4-phenylpiperidine-4-carboxamide
CID 78816447
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816298
1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide
CID 78816036
N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 119643803
1-ethylsulfonyl-4-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 78902535
1-ethylsulfonyl-4-phenyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119464480

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide (CID 78840882) is N-(3-cyclohexyloxypropyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCCCOC2CCCCC2)(c2ccccc2)CC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The InChIKey is ILHNRLNORVEFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O4S/c1-2-30(27,28)25-17-14-23(15-18-25,20-10-5-3-6-11-20)22(26)24-16-9-19-29-21-12-7-4-8-13-21/h3,5-6,10-11,21H,2,4,7-9,12-19H2,1H3,(H,24,26).
What are the key properties of N-(3-cyclohexyloxypropyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
N-(3-cyclohexyloxypropyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide has a molecular weight of 436.62 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 78840882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).