N-butyl-1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C14H25F3N2O3S — CID 78866534

IUPACN-butyl-1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C14H25F3N2O3S/c1-3-5-8-18(11-14(15,16)17)13(20)12-6-9-19(10-7-12)23(21,22)4-2/h12H,3-11H2,1-2H3
InChIKeyJKTPLQGPFZPISJ-UHFFFAOYSA-N
MW358.43 g/mol
LogP2.24
Rot. Bonds7

About N-butyl-1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-butyl-1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 78866534) has the molecular formula C14H25F3N2O3S and a molecular weight of 358.43 g/mol. Its IUPAC name is N-butyl-1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID78866534
Molecular FormulaC14H25F3N2O3S
Molecular Weight358.43 g/mol
Exact Mass358.15
IUPAC NameN-butyl-1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C14H25F3N2O3S/c1-3-5-8-18(11-14(15,16)17)13(20)12-6-9-19(10-7-12)23(21,22)4-2/h12H,3-11H2,1-2H3
InChIKeyJKTPLQGPFZPISJ-UHFFFAOYSA-N
XLogP2.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 78866534) is N-butyl-1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of N-butyl-1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is JKTPLQGPFZPISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O3S/c1-3-5-8-18(11-14(15,16)17)13(20)12-6-9-19(10-7-12)23(21,22)4-2/h12H,3-11H2,1-2H3.
What are the key properties of N-butyl-1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-butyl-1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 358.43 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 78866534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).