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

C14H23F3N2O2 — CID 99858431

IUPAC(3S)-1-[2-[(2S)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CCCN(CC[C@@H]2CCCO2)C1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)10-18-13(20)11-3-1-6-19(9-11)7-5-12-4-2-8-21-12/h11-12H,1-10H2,(H,18,20)/t11-,12-/m0/s1
InChIKeyPALQDZIDGOMBOK-RYUDHWBXSA-N
MW308.34 g/mol
LogP1.95
Rot. Bonds5

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

(3S)-1-[2-[(2S)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 99858431) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (3S)-1-[2-[(2S)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-[(2S)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID99858431
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name(3S)-1-[2-[(2S)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CCCN(CC[C@@H]2CCCO2)C1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)10-18-13(20)11-3-1-6-19(9-11)7-5-12-4-2-8-21-12/h11-12H,1-10H2,(H,18,20)/t11-,12-/m0/s1
InChIKeyPALQDZIDGOMBOK-RYUDHWBXSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[(2S)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-[(2S)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 99858431) is (3S)-1-[2-[(2S)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-[(2S)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-[(2S)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)[C@H]1CCCN(CC[C@@H]2CCCO2)C1.
What is the InChIKey of (3S)-1-[2-[(2S)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is PALQDZIDGOMBOK-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c15-14(16,17)10-18-13(20)11-3-1-6-19(9-11)7-5-12-4-2-8-21-12/h11-12H,1-10H2,(H,18,20)/t11-,12-/m0/s1.
What are the key properties of (3S)-1-[2-[(2S)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3S)-1-[2-[(2S)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[(2S)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 99858431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).