(3S)-1-[3-[(3S)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C15H25F3N2O2 — CID 100616412

IUPAC(3S)-1-[3-[(3S)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CCCN(CCC[C@H]2CCOC2)C1
InChIInChI=1S/C15H25F3N2O2/c16-15(17,18)11-19-14(21)13-4-2-7-20(9-13)6-1-3-12-5-8-22-10-12/h12-13H,1-11H2,(H,19,21)/t12-,13-/m0/s1
InChIKeyAKAFXLJLZMQQAF-STQMWFEESA-N
MW322.37 g/mol
LogP2.19
Rot. Bonds6

About (3S)-1-[3-[(3S)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3S)-1-[3-[(3S)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 100616412) has the molecular formula C15H25F3N2O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is (3S)-1-[3-[(3S)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-[(3S)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID100616412
Molecular FormulaC15H25F3N2O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC Name(3S)-1-[3-[(3S)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CCCN(CCC[C@H]2CCOC2)C1
InChIInChI=1S/C15H25F3N2O2/c16-15(17,18)11-19-14(21)13-4-2-7-20(9-13)6-1-3-12-5-8-22-10-12/h12-13H,1-11H2,(H,19,21)/t12-,13-/m0/s1
InChIKeyAKAFXLJLZMQQAF-STQMWFEESA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-[(3S)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-[(3S)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 100616412) is (3S)-1-[3-[(3S)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-[(3S)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-[(3S)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)[C@H]1CCCN(CCC[C@H]2CCOC2)C1.
What is the InChIKey of (3S)-1-[3-[(3S)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is AKAFXLJLZMQQAF-STQMWFEESA-N. The full InChI is InChI=1S/C15H25F3N2O2/c16-15(17,18)11-19-14(21)13-4-2-7-20(9-13)6-1-3-12-5-8-22-10-12/h12-13H,1-11H2,(H,19,21)/t12-,13-/m0/s1.
What are the key properties of (3S)-1-[3-[(3S)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3S)-1-[3-[(3S)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-[(3S)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 100616412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).