1-ethylsulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide

C20H32N2O4S — CID 132660565

IUPAC1-ethylsulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCCCc2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C20H32N2O4S/c1-4-27(24,25)22-14-6-8-18(15-22)20(23)21-13-5-7-17-9-11-19(12-10-17)26-16(2)3/h9-12,16,18H,4-8,13-15H2,1-3H3,(H,21,23)
InChIKeyONPDMBNPXUZEBX-UHFFFAOYSA-N
MW396.55 g/mol
LogP2.58
Rot. Bonds9

About 1-ethylsulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide

1-ethylsulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide (PubChem CID 132660565) has the molecular formula C20H32N2O4S and a molecular weight of 396.55 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
PubChem CID132660565
Molecular FormulaC20H32N2O4S
Molecular Weight396.55 g/mol
Exact Mass396.21
IUPAC Name1-ethylsulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCCCc2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C20H32N2O4S/c1-4-27(24,25)22-14-6-8-18(15-22)20(23)21-13-5-7-17-9-11-19(12-10-17)26-16(2)3/h9-12,16,18H,4-8,13-15H2,1-3H3,(H,21,23)
InChIKeyONPDMBNPXUZEBX-UHFFFAOYSA-N
XLogP2.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 52.58
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

(3S)-1-(3-phenylpropylsulfonyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 92646552
(3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 100670759
1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 132650772
(3S)-1-(3-phenylpropylsulfonyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 92675636
1-methylsulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 132657660
1-(dimethylsulfamoyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
CID 56921867
1-[(4-fluorophenyl)methylsulfonyl]-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
CID 38006975
(3R)-1-(4-fluorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 100670729
(3S)-1-(4-chlorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 100675660
N-[3-[4-(dimethylamino)phenyl]propyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55683504
N-[3-(4-ethoxyphenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168291
(3R)-1-(benzenesulfonyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 100659745

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide (CID 132660565) is 1-ethylsulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide is CCS(=O)(=O)N1CCCC(C(=O)NCCCc2ccc(OC(C)C)cc2)C1.
What is the InChIKey of 1-ethylsulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide?
The InChIKey is ONPDMBNPXUZEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4S/c1-4-27(24,25)22-14-6-8-18(15-22)20(23)21-13-5-7-17-9-11-19(12-10-17)26-16(2)3/h9-12,16,18H,4-8,13-15H2,1-3H3,(H,21,23).
What are the key properties of 1-ethylsulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide?
1-ethylsulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide has a molecular weight of 396.55 g/mol, XLogP of 2.58, 9 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-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 132660565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).