1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide

C23H37N3O3S — CID 78837890

IUPAC1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCCN2CCC(C)CC2)(c2ccccc2)CC1
InChIInChI=1S/C23H37N3O3S/c1-3-30(28,29)26-18-12-23(13-19-26,21-8-5-4-6-9-21)22(27)24-14-7-15-25-16-10-20(2)11-17-25/h4-6,8-9,20H,3,7,10-19H2,1-2H3,(H,24,27)
InChIKeyBJILMZLMYGMZQF-UHFFFAOYSA-N
MW435.63 g/mol
LogP2.61
Rot. Bonds8

About 1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide

1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 78837890) has the molecular formula C23H37N3O3S and a molecular weight of 435.63 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide
PubChem CID78837890
Molecular FormulaC23H37N3O3S
Molecular Weight435.63 g/mol
Exact Mass435.26
IUPAC Name1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCCN2CCC(C)CC2)(c2ccccc2)CC1
InChIInChI=1S/C23H37N3O3S/c1-3-30(28,29)26-18-12-23(13-19-26,21-8-5-4-6-9-21)22(27)24-14-7-15-25-16-10-20(2)11-17-25/h4-6,8-9,20H,3,7,10-19H2,1-2H3,(H,24,27)
InChIKeyBJILMZLMYGMZQF-UHFFFAOYSA-N
XLogP2.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.63
LogP ≤ 52.61
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

N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994
1-ethylsulfonyl-N-(3-phenoxypropyl)-4-phenylpiperidine-4-carboxamide
CID 78819852
N-(3-cyclohexyloxypropyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78840882
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-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 119643803
1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119514618
N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78878249
1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
CID 78841149
1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide
CID 119393727
1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride
CID 119390296

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide (CID 78837890) is 1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCCCN2CCC(C)CC2)(c2ccccc2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is BJILMZLMYGMZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3S/c1-3-30(28,29)26-18-12-23(13-19-26,21-8-5-4-6-9-21)22(27)24-14-7-15-25-16-10-20(2)11-17-25/h4-6,8-9,20H,3,7,10-19H2,1-2H3,(H,24,27).
What are the key properties of 1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide?
1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 435.63 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 78837890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).