N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide

C14H24F3N3O3S — CID 119324792

IUPACN-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)C2CCCCN2)CC1
InChIInChI=1S/C14H24F3N3O3S/c1-24(22,23)20(10-14(15,16)17)11-5-8-19(9-6-11)13(21)12-4-2-3-7-18-12/h11-12,18H,2-10H2,1H3
InChIKeyJBLWTLLJMMWQCD-UHFFFAOYSA-N
MW371.43 g/mol
LogP0.94
Rot. Bonds4

About N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide

N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 119324792) has the molecular formula C14H24F3N3O3S and a molecular weight of 371.43 g/mol. Its IUPAC name is N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID119324792
Molecular FormulaC14H24F3N3O3S
Molecular Weight371.43 g/mol
Exact Mass371.15
IUPAC NameN-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)C2CCCCN2)CC1
InChIInChI=1S/C14H24F3N3O3S/c1-24(22,23)20(10-14(15,16)17)11-5-8-19(9-6-11)13(21)12-4-2-3-7-18-12/h11-12,18H,2-10H2,1H3
InChIKeyJBLWTLLJMMWQCD-UHFFFAOYSA-N
XLogP0.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 119324792) is N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide is CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)C2CCCCN2)CC1.
What is the InChIKey of N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is JBLWTLLJMMWQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O3S/c1-24(22,23)20(10-14(15,16)17)11-5-8-19(9-6-11)13(21)12-4-2-3-7-18-12/h11-12,18H,2-10H2,1H3.
What are the key properties of N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 371.43 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 119324792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).