1-morpholin-4-ylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide

C13H25N3O4S — CID 4605990

IUPAC1-morpholin-4-ylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H25N3O4S/c1-11(2)14-13(17)12-3-5-15(6-4-12)21(18,19)16-7-9-20-10-8-16/h11-12H,3-10H2,1-2H3,(H,14,17)
InChIKeyLMFRDKOMLJRUBA-UHFFFAOYSA-N
MW319.43 g/mol
LogP-0.20
Rot. Bonds4

About 1-morpholin-4-ylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide

1-morpholin-4-ylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 4605990) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-morpholin-4-ylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-morpholin-4-ylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID4605990
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC Name1-morpholin-4-ylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H25N3O4S/c1-11(2)14-13(17)12-3-5-15(6-4-12)21(18,19)16-7-9-20-10-8-16/h11-12H,3-10H2,1-2H3,(H,14,17)
InChIKeyLMFRDKOMLJRUBA-UHFFFAOYSA-N
XLogP-0.20
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-morpholin-4-ylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide (CID 4605990) is 1-morpholin-4-ylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-morpholin-4-ylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-morpholin-4-ylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of 1-morpholin-4-ylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is LMFRDKOMLJRUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-11(2)14-13(17)12-3-5-15(6-4-12)21(18,19)16-7-9-20-10-8-16/h11-12H,3-10H2,1-2H3,(H,14,17).
What are the key properties of 1-morpholin-4-ylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
1-morpholin-4-ylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 319.43 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 4605990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).