1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide

C19H36N4O4S — CID 5107017

IUPAC1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NCCN3CCOCC3)C2)C1
InChIInChI=1S/C19H36N4O4S/c1-16-12-17(2)14-23(13-16)28(25,26)22-6-3-4-18(15-22)19(24)20-5-7-21-8-10-27-11-9-21/h16-18H,3-15H2,1-2H3,(H,20,24)
InChIKeyHNFPKMGFWCWFKN-UHFFFAOYSA-N
MW416.59 g/mol
LogP0.37
Rot. Bonds6

About 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide

1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide (PubChem CID 5107017) has the molecular formula C19H36N4O4S and a molecular weight of 416.59 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
PubChem CID5107017
Molecular FormulaC19H36N4O4S
Molecular Weight416.59 g/mol
Exact Mass416.25
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NCCN3CCOCC3)C2)C1
InChIInChI=1S/C19H36N4O4S/c1-16-12-17(2)14-23(13-16)28(25,26)22-6-3-4-18(15-22)19(24)20-5-7-21-8-10-27-11-9-21/h16-18H,3-15H2,1-2H3,(H,20,24)
InChIKeyHNFPKMGFWCWFKN-UHFFFAOYSA-N
XLogP0.37
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide (CID 5107017) is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide is CC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NCCN3CCOCC3)C2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The InChIKey is HNFPKMGFWCWFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O4S/c1-16-12-17(2)14-23(13-16)28(25,26)22-6-3-4-18(15-22)19(24)20-5-7-21-8-10-27-11-9-21/h16-18H,3-15H2,1-2H3,(H,20,24).
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide has a molecular weight of 416.59 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 5107017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).