1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidine-4-carboxamide

C19H27N3O5S — CID 4100781

IUPAC1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidine-4-carboxamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)N3CCC(C(N)=O)CC3)c2)CC(C)O1
InChIInChI=1S/C19H27N3O5S/c1-13-11-22(12-14(2)27-13)28(25,26)17-5-3-4-16(10-17)19(24)21-8-6-15(7-9-21)18(20)23/h3-5,10,13-15H,6-9,11-12H2,1-2H3,(H2,20,23)
InChIKeySYTCSHWLCNEGDL-UHFFFAOYSA-N
MW409.51 g/mol
LogP0.82
Rot. Bonds4

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

1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidine-4-carboxamide (PubChem CID 4100781) has the molecular formula C19H27N3O5S and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidine-4-carboxamide
PubChem CID4100781
Molecular FormulaC19H27N3O5S
Molecular Weight409.51 g/mol
Exact Mass409.17
IUPAC Name1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidine-4-carboxamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)N3CCC(C(N)=O)CC3)c2)CC(C)O1
InChIInChI=1S/C19H27N3O5S/c1-13-11-22(12-14(2)27-13)28(25,26)17-5-3-4-16(10-17)19(24)21-8-6-15(7-9-21)18(20)23/h3-5,10,13-15H,6-9,11-12H2,1-2H3,(H2,20,23)
InChIKeySYTCSHWLCNEGDL-UHFFFAOYSA-N
XLogP0.82
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Methylpiperidin-1-yl)(4-(morpholinosulfonyl)phenyl)methanone
CID 1158041
4-Sulfamoyl-N-(3-morpholinopropyl)benzamide (I-1)
CID 25060316
2,5-dimethyl-N-[4-(4-morpholinylcarbonyl)benzyl]benzenesulfonamide
CID 984387
N-cyclopropyl-3-(morpholin-4-ylsulfonyl)benzamide
CID 2326520
1-[4-(4-Methyl-3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone
CID 2390782
[4-(2-Methyl-piperidine-1-sulfonyl)-phenyl]-morpholin-4-yl-methanone
CID 2889869
4-methyl-3-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 4309860
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4846716
[4-Chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-methylpiperidin-1-yl)methanone
CID 4877373
[2-Methyl-5-(morpholine-4-sulfonyl)-phenyl]-pyrrolidin-1-yl-methanone
CID 6459647
N,N-dimethyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 16278252
3-(1-azepanylsulfonyl)-N-[2-(4-morpholinyl)ethyl]benzamide
CID 1292590

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidine-4-carboxamide (CID 4100781) is 1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidine-4-carboxamide is CC1CN(S(=O)(=O)c2cccc(C(=O)N3CCC(C(N)=O)CC3)c2)CC(C)O1.
What is the InChIKey of 1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidine-4-carboxamide?
The InChIKey is SYTCSHWLCNEGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S/c1-13-11-22(12-14(2)27-13)28(25,26)17-5-3-4-16(10-17)19(24)21-8-6-15(7-9-21)18(20)23/h3-5,10,13-15H,6-9,11-12H2,1-2H3,(H2,20,23).
What are the key properties of 1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidine-4-carboxamide?
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidine-4-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 4100781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).