1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxamide

C13H23N3O4S — CID 45372000

IUPAC1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)N2CCC(C(N)=O)CC2)C1
InChIInChI=1S/C13H23N3O4S/c1-21(19,20)16-6-2-3-11(9-16)13(18)15-7-4-10(5-8-15)12(14)17/h10-11H,2-9H2,1H3,(H2,14,17)
InChIKeyRFLFEQXMWXMIID-UHFFFAOYSA-N
MW317.41 g/mol
LogP-0.62
Rot. Bonds3

About 1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxamide

1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 45372000) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxamide
PubChem CID45372000
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC Name1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)N2CCC(C(N)=O)CC2)C1
InChIInChI=1S/C13H23N3O4S/c1-21(19,20)16-6-2-3-11(9-16)13(18)15-7-4-10(5-8-15)12(14)17/h10-11H,2-9H2,1H3,(H2,14,17)
InChIKeyRFLFEQXMWXMIID-UHFFFAOYSA-N
XLogP-0.62
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-(1-methylsulfonylpiperidin-3-yl)methanone
CID 45153724
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
CID 79030868
1-[1-[cyclohexyl(methyl)sulfamoyl]piperidine-3-carbonyl]piperidine-4-carboxamide
CID 22552859
4-(1-methylsulfonylpiperidine-3-carbonyl)piperazine-1-carbaldehyde
CID 110700198
1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxylic acid
CID 43355832
(3S)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120769
1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 5033864
(3,3-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone
CID 70702941
1-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 59841135
(2,6-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone
CID 110700207
1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 47149029

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxamide (CID 45372000) is 1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxamide is CS(=O)(=O)N1CCCC(C(=O)N2CCC(C(N)=O)CC2)C1.
What is the InChIKey of 1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is RFLFEQXMWXMIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-21(19,20)16-6-2-3-11(9-16)13(18)15-7-4-10(5-8-15)12(14)17/h10-11H,2-9H2,1H3,(H2,14,17).
What are the key properties of 1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxamide?
1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 317.41 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 45372000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).