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

C14H25ClF3N3O3S — CID 119324791

IUPACN-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)C2CCCCN2)CC1.Cl
InChIInChI=1S/C14H24F3N3O3S.ClH/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;1H
InChIKeyMMDBHXMJTOGRHW-UHFFFAOYSA-N
MW407.89 g/mol
LogP1.37
Rot. Bonds4

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

N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride (PubChem CID 119324791) has the molecular formula C14H25ClF3N3O3S and a molecular weight of 407.89 g/mol. Its IUPAC name is N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
PubChem CID119324791
Molecular FormulaC14H25ClF3N3O3S
Molecular Weight407.89 g/mol
Exact Mass407.13
IUPAC NameN-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)C2CCCCN2)CC1.Cl
InChIInChI=1S/C14H24F3N3O3S.ClH/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;1H
InChIKeyMMDBHXMJTOGRHW-UHFFFAOYSA-N
XLogP1.37
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.89
LogP ≤ 51.37
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;hydrochloride?
The IUPAC name of N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride (CID 119324791) is N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride is CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)C2CCCCN2)CC1.Cl.
What is the InChIKey of N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride?
The InChIKey is MMDBHXMJTOGRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O3S.ClH/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;1H.
What are the key properties of N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride?
N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride has a molecular weight of 407.89 g/mol, XLogP of 1.37, 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;hydrochloride is sourced from PubChem (CID 119324791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).