2-(3,5-dimethylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C19H29N3O4S — CID 4278623

IUPAC2-(3,5-dimethylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCC1CC(C)CN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C19H29N3O4S/c1-15-11-16(2)13-21(12-15)14-19(23)20-17-3-5-18(6-4-17)27(24,25)22-7-9-26-10-8-22/h3-6,15-16H,7-14H2,1-2H3,(H,20,23)
InChIKeyXBNVYFKJLDCLRH-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.62
Rot. Bonds5

About 2-(3,5-dimethylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-(3,5-dimethylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 4278623) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID4278623
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCC1CC(C)CN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C19H29N3O4S/c1-15-11-16(2)13-21(12-15)14-19(23)20-17-3-5-18(6-4-17)27(24,25)22-7-9-26-10-8-22/h3-6,15-16H,7-14H2,1-2H3,(H,20,23)
InChIKeyXBNVYFKJLDCLRH-UHFFFAOYSA-N
XLogP1.62
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1152713
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ylacetamide
CID 1071220
2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 7925830
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 31998459
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8899749
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N-cyclopropyl-2-[4-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30627581
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 1152741
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4257412
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55723412

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 4278623) is 2-(3,5-dimethylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is CC1CC(C)CN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is XBNVYFKJLDCLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-15-11-16(2)13-21(12-15)14-19(23)20-17-3-5-18(6-4-17)27(24,25)22-7-9-26-10-8-22/h3-6,15-16H,7-14H2,1-2H3,(H,20,23).
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-(3,5-dimethylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 395.53 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4278623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).