tert-butyl 4-[1-[4-(dimethylsulfamoyl)phenyl]piperidin-4-yl]piperidine-1-carboxylate

C23H37N3O4S — CID 59178971

IUPACtert-butyl 4-[1-[4-(dimethylsulfamoyl)phenyl]piperidin-4-yl]piperidine-1-carboxylate
SMILESCN(C)S(=O)(=O)c1ccc(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1
InChIInChI=1S/C23H37N3O4S/c1-23(2,3)30-22(27)26-16-12-19(13-17-26)18-10-14-25(15-11-18)20-6-8-21(9-7-20)31(28,29)24(4)5/h6-9,18-19H,10-17H2,1-5H3
InChIKeySHVPABLFGWBKEC-UHFFFAOYSA-N
MW451.63 g/mol
LogP3.80
Rot. Bonds4

About tert-butyl 4-[1-[4-(dimethylsulfamoyl)phenyl]piperidin-4-yl]piperidine-1-carboxylate

tert-butyl 4-[1-[4-(dimethylsulfamoyl)phenyl]piperidin-4-yl]piperidine-1-carboxylate (PubChem CID 59178971) has the molecular formula C23H37N3O4S and a molecular weight of 451.63 g/mol. Its IUPAC name is tert-butyl 4-[1-[4-(dimethylsulfamoyl)phenyl]piperidin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-[4-(dimethylsulfamoyl)phenyl]piperidin-4-yl]piperidine-1-carboxylate
PubChem CID59178971
Molecular FormulaC23H37N3O4S
Molecular Weight451.63 g/mol
Exact Mass451.25
IUPAC Nametert-butyl 4-[1-[4-(dimethylsulfamoyl)phenyl]piperidin-4-yl]piperidine-1-carboxylate
SMILESCN(C)S(=O)(=O)c1ccc(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1
InChIInChI=1S/C23H37N3O4S/c1-23(2,3)30-22(27)26-16-12-19(13-17-26)18-10-14-25(15-11-18)20-6-8-21(9-7-20)31(28,29)24(4)5/h6-9,18-19H,10-17H2,1-5H3
InChIKeySHVPABLFGWBKEC-UHFFFAOYSA-N
XLogP3.80
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.63
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[1-[4-(dimethylsulfamoyl)phenyl]piperidin-4-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[4-(4-acetylpiperazin-1-yl)phenyl]sulfonylpiperidine-1-carboxylate
CID 139989216
N,N-dimethyl-4-(4-piperidin-4-ylpiperidin-1-yl)benzenesulfonamide
CID 71081142
tert-butyl 4-[2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 15949295
tert-butyl 4-[1-[4-(1,3-thiazol-2-yl)phenyl]piperidin-4-yl]piperidine-1-carboxylate
CID 59178949
tert-butyl 4-[[1-(4-bromophenyl)piperidin-4-yl]methoxymethyl]piperidine-1-carboxylate
CID 162741845
tert-butyl 4-[(1R,2S)-2-[[4-(dimethylsulfamoyl)phenyl]sulfonylamino]cycloheptyl]piperazine-1-carboxylate
CID 164573192
tert-butyl 4-[2-[4-(4-methylsulfonylphenyl)-2-oxopiperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 15949571
tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate
CID 167049164
tert-butyl 4-[1-(3-chloro-5-fluorophenyl)piperidin-4-yl]piperidine-1-carboxylate
CID 24959231
tert-butyl 4-[1-[4-[cyano-(3-ethoxy-3-oxopropyl)amino]phenyl]piperidin-4-yl]piperidine-1-carboxylate
CID 163378058
tert-butyl 4-[(3-fluoro-4-methylphenyl)sulfonyl-methylamino]piperidine-1-carboxylate
CID 60539981
tert-butyl 4-[4-[acetyl(methyl)amino]phenyl]piperazine-1-carboxylate
CID 59128304

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-[4-(dimethylsulfamoyl)phenyl]piperidin-4-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-[4-(dimethylsulfamoyl)phenyl]piperidin-4-yl]piperidine-1-carboxylate (CID 59178971) is tert-butyl 4-[1-[4-(dimethylsulfamoyl)phenyl]piperidin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-[4-(dimethylsulfamoyl)phenyl]piperidin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-[4-(dimethylsulfamoyl)phenyl]piperidin-4-yl]piperidine-1-carboxylate is CN(C)S(=O)(=O)c1ccc(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1.
What is the InChIKey of tert-butyl 4-[1-[4-(dimethylsulfamoyl)phenyl]piperidin-4-yl]piperidine-1-carboxylate?
The InChIKey is SHVPABLFGWBKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O4S/c1-23(2,3)30-22(27)26-16-12-19(13-17-26)18-10-14-25(15-11-18)20-6-8-21(9-7-20)31(28,29)24(4)5/h6-9,18-19H,10-17H2,1-5H3.
What are the key properties of tert-butyl 4-[1-[4-(dimethylsulfamoyl)phenyl]piperidin-4-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-[4-(dimethylsulfamoyl)phenyl]piperidin-4-yl]piperidine-1-carboxylate has a molecular weight of 451.63 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-[4-(dimethylsulfamoyl)phenyl]piperidin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 59178971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).