(3S)-N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C14H20F3N3O2 — CID 97248751

IUPAC(3S)-N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccco1
InChIInChI=1S/C14H20F3N3O2/c1-10-8-19(5-6-20(10)9-14(15,16)17)13(21)18-11(2)12-4-3-7-22-12/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,18,21)/t10-,11-/m0/s1
InChIKeyWLSCMZAEJKWHME-QWRGUYRKSA-N
MW319.33 g/mol
LogP2.62
Rot. Bonds3

About (3S)-N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

(3S)-N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 97248751) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID97248751
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name(3S)-N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccco1
InChIInChI=1S/C14H20F3N3O2/c1-10-8-19(5-6-20(10)9-14(15,16)17)13(21)18-11(2)12-4-3-7-22-12/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,18,21)/t10-,11-/m0/s1
InChIKeyWLSCMZAEJKWHME-QWRGUYRKSA-N
XLogP2.62
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of (3S)-N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 97248751) is (3S)-N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for (3S)-N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is C[C@H](NC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccco1.
What is the InChIKey of (3S)-N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is WLSCMZAEJKWHME-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-10-8-19(5-6-20(10)9-14(15,16)17)13(21)18-11(2)12-4-3-7-22-12/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,18,21)/t10-,11-/m0/s1.
What are the key properties of (3S)-N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
(3S)-N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 319.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 97248751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).