(3S)-1-(1,3-dioxolan-2-ylmethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C14H23F3N2O3 — CID 124616155

IUPAC(3S)-1-(1,3-dioxolan-2-ylmethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CC2OCCO2)C1
InChIInChI=1S/C14H23F3N2O3/c1-2-19(10-14(15,16)17)13(20)11-4-3-5-18(8-11)9-12-21-6-7-22-12/h11-12H,2-10H2,1H3/t11-/m0/s1
InChIKeyZOQFRTBCVRXSBX-NSHDSACASA-N
MW324.34 g/mol
LogP1.48
Rot. Bonds5

About (3S)-1-(1,3-dioxolan-2-ylmethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3S)-1-(1,3-dioxolan-2-ylmethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 124616155) has the molecular formula C14H23F3N2O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is (3S)-1-(1,3-dioxolan-2-ylmethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1,3-dioxolan-2-ylmethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID124616155
Molecular FormulaC14H23F3N2O3
Molecular Weight324.34 g/mol
Exact Mass324.17
IUPAC Name(3S)-1-(1,3-dioxolan-2-ylmethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CC2OCCO2)C1
InChIInChI=1S/C14H23F3N2O3/c1-2-19(10-14(15,16)17)13(20)11-4-3-5-18(8-11)9-12-21-6-7-22-12/h11-12H,2-10H2,1H3/t11-/m0/s1
InChIKeyZOQFRTBCVRXSBX-NSHDSACASA-N
XLogP1.48
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1,3-dioxolan-2-ylmethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(1,3-dioxolan-2-ylmethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 124616155) is (3S)-1-(1,3-dioxolan-2-ylmethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1,3-dioxolan-2-ylmethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1,3-dioxolan-2-ylmethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CC2OCCO2)C1.
What is the InChIKey of (3S)-1-(1,3-dioxolan-2-ylmethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is ZOQFRTBCVRXSBX-NSHDSACASA-N. The full InChI is InChI=1S/C14H23F3N2O3/c1-2-19(10-14(15,16)17)13(20)11-4-3-5-18(8-11)9-12-21-6-7-22-12/h11-12H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-1-(1,3-dioxolan-2-ylmethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3S)-1-(1,3-dioxolan-2-ylmethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1,3-dioxolan-2-ylmethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 124616155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).