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

C20H33N3O4S — CID 56921867

IUPAC1-(dimethylsulfamoyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
SMILESCC(C)Oc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1
InChIInChI=1S/C20H33N3O4S/c1-16(2)27-19-9-7-17(8-10-19)6-5-13-21-20(24)18-11-14-23(15-12-18)28(25,26)22(3)4/h7-10,16,18H,5-6,11-15H2,1-4H3,(H,21,24)
InChIKeyFPBGTFAMTGCNIE-UHFFFAOYSA-N
MW411.57 g/mol
LogP2.04
Rot. Bonds9

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

1-(dimethylsulfamoyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide (PubChem CID 56921867) has the molecular formula C20H33N3O4S and a molecular weight of 411.57 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
PubChem CID56921867
Molecular FormulaC20H33N3O4S
Molecular Weight411.57 g/mol
Exact Mass411.22
IUPAC Name1-(dimethylsulfamoyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
SMILESCC(C)Oc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1
InChIInChI=1S/C20H33N3O4S/c1-16(2)27-19-9-7-17(8-10-19)6-5-13-21-20(24)18-11-14-23(15-12-18)28(25,26)22(3)4/h7-10,16,18H,5-6,11-15H2,1-4H3,(H,21,24)
InChIKeyFPBGTFAMTGCNIE-UHFFFAOYSA-N
XLogP2.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 52.04
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-[(4-fluorophenyl)methylsulfonyl]-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
CID 38006975
1-butylsulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 55778343
1-ethylsulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 132660565
N-[2-(4-chlorophenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 56921790
1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 132650772
N-[3-(4-methoxyphenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100656350
(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-(dimethylsulfamoyl)-N-(3-naphthalen-1-ylpropyl)piperidine-4-carboxamide
CID 56920324
1-(4-fluorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
CID 100652484
N-(3-cyclopentyloxypropyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 70702982
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 100662126

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(dimethylsulfamoyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide (CID 56921867) is 1-(dimethylsulfamoyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(dimethylsulfamoyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(dimethylsulfamoyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide is CC(C)Oc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1.
What is the InChIKey of 1-(dimethylsulfamoyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide?
The InChIKey is FPBGTFAMTGCNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4S/c1-16(2)27-19-9-7-17(8-10-19)6-5-13-21-20(24)18-11-14-23(15-12-18)28(25,26)22(3)4/h7-10,16,18H,5-6,11-15H2,1-4H3,(H,21,24).
What are the key properties of 1-(dimethylsulfamoyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide?
1-(dimethylsulfamoyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide has a molecular weight of 411.57 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 56921867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).