1-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide

C16H22F3N3O3 — CID 35318239

IUPAC1-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CC(=O)N(Cc2ccco2)CC(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O3/c1-20-15(24)12-4-6-21(7-5-12)10-14(23)22(11-16(17,18)19)9-13-3-2-8-25-13/h2-3,8,12H,4-7,9-11H2,1H3,(H,20,24)
InChIKeyCJPWIUFWGUFTER-UHFFFAOYSA-N
MW361.36 g/mol
LogP1.63
Rot. Bonds6

About 1-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide

1-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide (PubChem CID 35318239) has the molecular formula C16H22F3N3O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 1-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
PubChem CID35318239
Molecular FormulaC16H22F3N3O3
Molecular Weight361.36 g/mol
Exact Mass361.16
IUPAC Name1-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CC(=O)N(Cc2ccco2)CC(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O3/c1-20-15(24)12-4-6-21(7-5-12)10-14(23)22(11-16(17,18)19)9-13-3-2-8-25-13/h2-3,8,12H,4-7,9-11H2,1H3,(H,20,24)
InChIKeyCJPWIUFWGUFTER-UHFFFAOYSA-N
XLogP1.63
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide (CID 35318239) is 1-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(CC(=O)N(Cc2ccco2)CC(F)(F)F)CC1.
What is the InChIKey of 1-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is CJPWIUFWGUFTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3/c1-20-15(24)12-4-6-21(7-5-12)10-14(23)22(11-16(17,18)19)9-13-3-2-8-25-13/h2-3,8,12H,4-7,9-11H2,1H3,(H,20,24).
What are the key properties of 1-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
1-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 361.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 35318239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).