1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide

C20H30N2O6S — CID 69259003

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCC(O)CC3)C2)cc1OC
InChIInChI=1S/C20H30N2O6S/c1-27-18-10-9-17(12-19(18)28-2)29(25,26)22-11-3-4-14(13-22)20(24)21-15-5-7-16(23)8-6-15/h9-10,12,14-16,23H,3-8,11,13H2,1-2H3,(H,21,24)
InChIKeyWPZDJFXLBIRMFX-UHFFFAOYSA-N
MW426.54 g/mol
LogP1.52
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide

1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide (PubChem CID 69259003) has the molecular formula C20H30N2O6S and a molecular weight of 426.54 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
PubChem CID69259003
Molecular FormulaC20H30N2O6S
Molecular Weight426.54 g/mol
Exact Mass426.18
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCC(O)CC3)C2)cc1OC
InChIInChI=1S/C20H30N2O6S/c1-27-18-10-9-17(12-19(18)28-2)29(25,26)22-11-3-4-14(13-22)20(24)21-15-5-7-16(23)8-6-15/h9-10,12,14-16,23H,3-8,11,13H2,1-2H3,(H,21,24)
InChIKeyWPZDJFXLBIRMFX-UHFFFAOYSA-N
XLogP1.52
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6457392
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 6490713
N-cycloheptyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2979454
(3S)-N-tert-butyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 7453401
N-cyclopentyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1326017
(3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 11502569
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 6490717
[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 7258408
(3R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 7453410
N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872913
N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 5201160
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 4038087

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide (CID 69259003) is 1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCC(O)CC3)C2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide?
The InChIKey is WPZDJFXLBIRMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O6S/c1-27-18-10-9-17(12-19(18)28-2)29(25,26)22-11-3-4-14(13-22)20(24)21-15-5-7-16(23)8-6-15/h9-10,12,14-16,23H,3-8,11,13H2,1-2H3,(H,21,24).
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide?
1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide is sourced from PubChem (CID 69259003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).