1-(benzenesulfonyl)-N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]piperidine-4-carboxamide

C24H30FN3O4S — CID 55800460

IUPAC1-(benzenesulfonyl)-N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]piperidine-4-carboxamide
SMILESCC1CN(c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)cc2F)CC(C)O1
InChIInChI=1S/C24H30FN3O4S/c1-17-15-27(16-18(2)32-17)23-9-8-20(14-22(23)25)26-24(29)19-10-12-28(13-11-19)33(30,31)21-6-4-3-5-7-21/h3-9,14,17-19H,10-13,15-16H2,1-2H3,(H,26,29)
InChIKeyICFQEBQLRQDGRE-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.48
Rot. Bonds5

About 1-(benzenesulfonyl)-N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]piperidine-4-carboxamide (PubChem CID 55800460) has the molecular formula C24H30FN3O4S and a molecular weight of 475.59 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]piperidine-4-carboxamide
PubChem CID55800460
Molecular FormulaC24H30FN3O4S
Molecular Weight475.59 g/mol
Exact Mass475.19
IUPAC Name1-(benzenesulfonyl)-N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]piperidine-4-carboxamide
SMILESCC1CN(c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)cc2F)CC(C)O1
InChIInChI=1S/C24H30FN3O4S/c1-17-15-27(16-18(2)32-17)23-9-8-20(14-22(23)25)26-24(29)19-10-12-28(13-11-19)33(30,31)21-6-4-3-5-7-21/h3-9,14,17-19H,10-13,15-16H2,1-2H3,(H,26,29)
InChIKeyICFQEBQLRQDGRE-UHFFFAOYSA-N
XLogP3.48
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630080
1-(benzenesulfonyl)-N-(3-chloro-4-piperidin-1-ylphenyl)piperidine-4-carboxamide
CID 55885014
1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 1326765
N-(3,4-difluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24639594
(3R)-1-(benzenesulfonyl)-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 28550014
1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
CID 43044329
[1-(benzenesulfonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 1190402
N-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55796487
1-(benzenesulfonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-4-carboxamide
CID 42125952
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 1072838
1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea
CID 47042942
1-(benzenesulfonyl)-N-[3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 39131296

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]piperidine-4-carboxamide (CID 55800460) is 1-(benzenesulfonyl)-N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]piperidine-4-carboxamide is CC1CN(c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)cc2F)CC(C)O1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]piperidine-4-carboxamide?
The InChIKey is ICFQEBQLRQDGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O4S/c1-17-15-27(16-18(2)32-17)23-9-8-20(14-22(23)25)26-24(29)19-10-12-28(13-11-19)33(30,31)21-6-4-3-5-7-21/h3-9,14,17-19H,10-13,15-16H2,1-2H3,(H,26,29).
What are the key properties of 1-(benzenesulfonyl)-N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]piperidine-4-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55800460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).