1-morpholin-4-ylsulfonyl-N-propylpiperidine-3-carboxamide

C13H25N3O4S — CID 22552751

IUPAC1-morpholin-4-ylsulfonyl-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C13H25N3O4S/c1-2-5-14-13(17)12-4-3-6-16(11-12)21(18,19)15-7-9-20-10-8-15/h12H,2-11H2,1H3,(H,14,17)
InChIKeyJJHNQQCLIHEDJH-UHFFFAOYSA-N
MW319.43 g/mol
LogP-0.20
Rot. Bonds5

About 1-morpholin-4-ylsulfonyl-N-propylpiperidine-3-carboxamide

1-morpholin-4-ylsulfonyl-N-propylpiperidine-3-carboxamide (PubChem CID 22552751) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-morpholin-4-ylsulfonyl-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-morpholin-4-ylsulfonyl-N-propylpiperidine-3-carboxamide
PubChem CID22552751
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC Name1-morpholin-4-ylsulfonyl-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C13H25N3O4S/c1-2-5-14-13(17)12-4-3-6-16(11-12)21(18,19)15-7-9-20-10-8-15/h12H,2-11H2,1H3,(H,14,17)
InChIKeyJJHNQQCLIHEDJH-UHFFFAOYSA-N
XLogP-0.20
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-propylpiperidine-3-carboxamide?
The IUPAC name of 1-morpholin-4-ylsulfonyl-N-propylpiperidine-3-carboxamide (CID 22552751) is 1-morpholin-4-ylsulfonyl-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-morpholin-4-ylsulfonyl-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-morpholin-4-ylsulfonyl-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of 1-morpholin-4-ylsulfonyl-N-propylpiperidine-3-carboxamide?
The InChIKey is JJHNQQCLIHEDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-2-5-14-13(17)12-4-3-6-16(11-12)21(18,19)15-7-9-20-10-8-15/h12H,2-11H2,1H3,(H,14,17).
What are the key properties of 1-morpholin-4-ylsulfonyl-N-propylpiperidine-3-carboxamide?
1-morpholin-4-ylsulfonyl-N-propylpiperidine-3-carboxamide has a molecular weight of 319.43 g/mol, XLogP of -0.20, 5 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-propylpiperidine-3-carboxamide is sourced from PubChem (CID 22552751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).