N-(3-hydroxycyclohexyl)-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide

C19H28N2O5S — CID 76823868

IUPACN-(3-hydroxycyclohexyl)-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1cccc(S(=O)(=O)N2CCCC(C(=O)NC3CCCC(O)C3)C2)c1
InChIInChI=1S/C19H28N2O5S/c1-26-17-8-3-9-18(12-17)27(24,25)21-10-4-5-14(13-21)19(23)20-15-6-2-7-16(22)11-15/h3,8-9,12,14-16,22H,2,4-7,10-11,13H2,1H3,(H,20,23)
InChIKeyYMCKWOHJUAQSMB-UHFFFAOYSA-N
MW396.51 g/mol
LogP1.52
Rot. Bonds5

About N-(3-hydroxycyclohexyl)-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide

N-(3-hydroxycyclohexyl)-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 76823868) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(3-hydroxycyclohexyl)-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxycyclohexyl)-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID76823868
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC NameN-(3-hydroxycyclohexyl)-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1cccc(S(=O)(=O)N2CCCC(C(=O)NC3CCCC(O)C3)C2)c1
InChIInChI=1S/C19H28N2O5S/c1-26-17-8-3-9-18(12-17)27(24,25)21-10-4-5-14(13-21)19(23)20-15-6-2-7-16(22)11-15/h3,8-9,12,14-16,22H,2,4-7,10-11,13H2,1H3,(H,20,23)
InChIKeyYMCKWOHJUAQSMB-UHFFFAOYSA-N
XLogP1.52
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-cyclohexyl-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11531019
(3S)-1-(3,5-dichlorophenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide
CID 11618939
(3S)-N-cyclohexyl-1-(3-phenoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11619138
N-(4-hydroxycyclohexyl)-1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide
CID 72992124
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026
1-(3-chloro-2-methylphenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69263233
N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69259003
N-cyclopropyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6457392
1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide
CID 69262233

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxycyclohexyl)-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-hydroxycyclohexyl)-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide (CID 76823868) is N-(3-hydroxycyclohexyl)-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxycyclohexyl)-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxycyclohexyl)-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide is COc1cccc(S(=O)(=O)N2CCCC(C(=O)NC3CCCC(O)C3)C2)c1.
What is the InChIKey of N-(3-hydroxycyclohexyl)-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is YMCKWOHJUAQSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-26-17-8-3-9-18(12-17)27(24,25)21-10-4-5-14(13-21)19(23)20-15-6-2-7-16(22)11-15/h3,8-9,12,14-16,22H,2,4-7,10-11,13H2,1H3,(H,20,23).
What are the key properties of N-(3-hydroxycyclohexyl)-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
N-(3-hydroxycyclohexyl)-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxycyclohexyl)-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 76823868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).