1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide

C19H36N4O4S — CID 4097871

IUPAC1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
SMILESCC1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCCCN3CCOCC3
InChIInChI=1S/C19H36N4O4S/c1-17-5-10-22(11-6-17)28(25,26)23-9-2-4-18(16-23)19(24)20-7-3-8-21-12-14-27-15-13-21/h17-18H,2-16H2,1H3,(H,20,24)
InChIKeyXRZCHLNWYRWMKK-UHFFFAOYSA-N
MW416.60 g/mol
LogP0.50
Rot. Bonds7

About 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide

1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide (PubChem CID 4097871) has the molecular formula C19H36N4O4S and a molecular weight of 416.60 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
PubChem CID4097871
Molecular FormulaC19H36N4O4S
Molecular Weight416.60 g/mol
Exact Mass416.25
IUPAC Name1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
SMILESCC1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCCCN3CCOCC3
InChIInChI=1S/C19H36N4O4S/c1-17-5-10-22(11-6-17)28(25,26)23-9-2-4-18(16-23)19(24)20-7-3-8-21-12-14-27-15-13-21/h17-18H,2-16H2,1H3,(H,20,24)
InChIKeyXRZCHLNWYRWMKK-UHFFFAOYSA-N
XLogP0.50
TPSA90.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity596

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.60
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide (CID 4097871) is 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide is CC1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCCCN3CCOCC3.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The InChIKey is XRZCHLNWYRWMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O4S/c1-17-5-10-22(11-6-17)28(25,26)23-9-2-4-18(16-23)19(24)20-7-3-8-21-12-14-27-15-13-21/h17-18H,2-16H2,1H3,(H,20,24).
What are the key properties of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide has a molecular weight of 416.60 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 4097871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).