1-methylsulfonyl-N-(6-oxopiperidin-3-yl)piperidine-4-carboxamide

C12H21N3O4S — CID 62492120

IUPAC1-methylsulfonyl-N-(6-oxopiperidin-3-yl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CCC(=O)NC2)CC1
InChIInChI=1S/C12H21N3O4S/c1-20(18,19)15-6-4-9(5-7-15)12(17)14-10-2-3-11(16)13-8-10/h9-10H,2-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyJWTNZHAOGIXZHF-UHFFFAOYSA-N
MW303.38 g/mol
LogP-0.95
Rot. Bonds3

About 1-methylsulfonyl-N-(6-oxopiperidin-3-yl)piperidine-4-carboxamide

1-methylsulfonyl-N-(6-oxopiperidin-3-yl)piperidine-4-carboxamide (PubChem CID 62492120) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(6-oxopiperidin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(6-oxopiperidin-3-yl)piperidine-4-carboxamide
PubChem CID62492120
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name1-methylsulfonyl-N-(6-oxopiperidin-3-yl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CCC(=O)NC2)CC1
InChIInChI=1S/C12H21N3O4S/c1-20(18,19)15-6-4-9(5-7-15)12(17)14-10-2-3-11(16)13-8-10/h9-10H,2-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyJWTNZHAOGIXZHF-UHFFFAOYSA-N
XLogP-0.95
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(6-oxopiperidin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(6-oxopiperidin-3-yl)piperidine-4-carboxamide (CID 62492120) is 1-methylsulfonyl-N-(6-oxopiperidin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(6-oxopiperidin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(6-oxopiperidin-3-yl)piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NC2CCC(=O)NC2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(6-oxopiperidin-3-yl)piperidine-4-carboxamide?
The InChIKey is JWTNZHAOGIXZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-20(18,19)15-6-4-9(5-7-15)12(17)14-10-2-3-11(16)13-8-10/h9-10H,2-8H2,1H3,(H,13,16)(H,14,17).
What are the key properties of 1-methylsulfonyl-N-(6-oxopiperidin-3-yl)piperidine-4-carboxamide?
1-methylsulfonyl-N-(6-oxopiperidin-3-yl)piperidine-4-carboxamide has a molecular weight of 303.38 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(6-oxopiperidin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 62492120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).