N-(1-ethylsulfonylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide

C13H23N3O4S — CID 112728744

IUPACN-(1-ethylsulfonylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)C2CCC(=O)NC2)CC1
InChIInChI=1S/C13H23N3O4S/c1-2-21(19,20)16-7-5-11(6-8-16)15-13(18)10-3-4-12(17)14-9-10/h10-11H,2-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyOOZJDIRBAGBCMI-UHFFFAOYSA-N
MW317.41 g/mol
LogP-0.56
Rot. Bonds4

About N-(1-ethylsulfonylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide

N-(1-ethylsulfonylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 112728744) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide
PubChem CID112728744
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)C2CCC(=O)NC2)CC1
InChIInChI=1S/C13H23N3O4S/c1-2-21(19,20)16-7-5-11(6-8-16)15-13(18)10-3-4-12(17)14-9-10/h10-11H,2-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyOOZJDIRBAGBCMI-UHFFFAOYSA-N
XLogP-0.56
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide (CID 112728744) is N-(1-ethylsulfonylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide is CCS(=O)(=O)N1CCC(NC(=O)C2CCC(=O)NC2)CC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is OOZJDIRBAGBCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-2-21(19,20)16-7-5-11(6-8-16)15-13(18)10-3-4-12(17)14-9-10/h10-11H,2-9H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide?
N-(1-ethylsulfonylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 317.41 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 112728744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).