(3S)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C15H23F3N2O2 — CID 97241646

IUPAC(3S)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCCC1=CCOCC1)[C@H]1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C15H23F3N2O2/c16-15(17,18)11-20-7-1-2-13(10-20)14(21)19-6-3-12-4-8-22-9-5-12/h4,13H,1-3,5-11H2,(H,19,21)/t13-/m0/s1
InChIKeyFWVMFPHMRWJJBT-ZDUSSCGKSA-N
MW320.36 g/mol
LogP2.11
Rot. Bonds5

About (3S)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3S)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 97241646) has the molecular formula C15H23F3N2O2 and a molecular weight of 320.36 g/mol. Its IUPAC name is (3S)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID97241646
Molecular FormulaC15H23F3N2O2
Molecular Weight320.36 g/mol
Exact Mass320.17
IUPAC Name(3S)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCCC1=CCOCC1)[C@H]1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C15H23F3N2O2/c16-15(17,18)11-20-7-1-2-13(10-20)14(21)19-6-3-12-4-8-22-9-5-12/h4,13H,1-3,5-11H2,(H,19,21)/t13-/m0/s1
InChIKeyFWVMFPHMRWJJBT-ZDUSSCGKSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75388441
(3R)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97241647
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 104921250
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-piperidin-3-ylmethanone
CID 113581426
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 113581451

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 97241646) is (3S)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCCC1=CCOCC1)[C@H]1CCCN(CC(F)(F)F)C1.
What is the InChIKey of (3S)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is FWVMFPHMRWJJBT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23F3N2O2/c16-15(17,18)11-20-7-1-2-13(10-20)14(21)19-6-3-12-4-8-22-9-5-12/h4,13H,1-3,5-11H2,(H,19,21)/t13-/m0/s1.
What are the key properties of (3S)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3S)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 97241646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).