1-(dimethylsulfamoyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide

C20H31N3O4S — CID 56921660

IUPAC1-(dimethylsulfamoyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC(C(=O)NCC2(c3ccccc3)CCOCC2)CC1
InChIInChI=1S/C20H31N3O4S/c1-22(2)28(25,26)23-12-8-17(9-13-23)19(24)21-16-20(10-14-27-15-11-20)18-6-4-3-5-7-18/h3-7,17H,8-16H2,1-2H3,(H,21,24)
InChIKeyGTIHRMURIFHVPX-UHFFFAOYSA-N
MW409.55 g/mol
LogP1.37
Rot. Bonds6

About 1-(dimethylsulfamoyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide

1-(dimethylsulfamoyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 56921660) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
PubChem CID56921660
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC Name1-(dimethylsulfamoyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC(C(=O)NCC2(c3ccccc3)CCOCC2)CC1
InChIInChI=1S/C20H31N3O4S/c1-22(2)28(25,26)23-12-8-17(9-13-23)19(24)21-16-20(10-14-27-15-11-20)18-6-4-3-5-7-18/h3-7,17H,8-16H2,1-2H3,(H,21,24)
InChIKeyGTIHRMURIFHVPX-UHFFFAOYSA-N
XLogP1.37
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(dimethylsulfamoyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-ethylsulfonyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 98004889
(3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 100663435
1-(4-methylphenyl)sulfonyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 133168162
1-(3,4-dimethylphenyl)sulfonyl-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
CID 17430236
N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
CID 51078296
cis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 99779324
(2S,4S)-2-methyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
CID 120623333
5-methylsulfonyl-N-[(4-phenyloxan-4-yl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 133210536
1-[(3-chlorophenyl)methyl]-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
CID 100500131
3-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731085
1-(4,7-dimethylquinazolin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
CID 42246429
1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide
CID 24614549

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(dimethylsulfamoyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide (CID 56921660) is 1-(dimethylsulfamoyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(dimethylsulfamoyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(dimethylsulfamoyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide is CN(C)S(=O)(=O)N1CCC(C(=O)NCC2(c3ccccc3)CCOCC2)CC1.
What is the InChIKey of 1-(dimethylsulfamoyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is GTIHRMURIFHVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-22(2)28(25,26)23-12-8-17(9-13-23)19(24)21-16-20(10-14-27-15-11-20)18-6-4-3-5-7-18/h3-7,17H,8-16H2,1-2H3,(H,21,24).
What are the key properties of 1-(dimethylsulfamoyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide?
1-(dimethylsulfamoyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 409.55 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 56921660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).