1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate

C19H25F3N4O3 — CID 159424518

IUPAC1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate
SMILESCC(OC(=O)N1CCC(C)(N(C)C(=O)C2(c3cnccn3)CC2)CC1)C(F)(F)F
InChIInChI=1S/C19H25F3N4O3/c1-13(19(20,21)22)29-16(28)26-10-6-17(2,7-11-26)25(3)15(27)18(4-5-18)14-12-23-8-9-24-14/h8-9,12-13H,4-7,10-11H2,1-3H3
InChIKeyMUOXOJKSUNZHAY-UHFFFAOYSA-N
MW414.43 g/mol
LogP2.91
Rot. Bonds4

About 1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate

1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate (PubChem CID 159424518) has the molecular formula C19H25F3N4O3 and a molecular weight of 414.43 g/mol. Its IUPAC name is 1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Name1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate
PubChem CID159424518
Molecular FormulaC19H25F3N4O3
Molecular Weight414.43 g/mol
Exact Mass414.19
IUPAC Name1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate
SMILESCC(OC(=O)N1CCC(C)(N(C)C(=O)C2(c3cnccn3)CC2)CC1)C(F)(F)F
InChIInChI=1S/C19H25F3N4O3/c1-13(19(20,21)22)29-16(28)26-10-6-17(2,7-11-26)25(3)15(27)18(4-5-18)14-12-23-8-9-24-14/h8-9,12-13H,4-7,10-11H2,1-3H3
InChIKeyMUOXOJKSUNZHAY-UHFFFAOYSA-N
XLogP2.91
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of 1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate (CID 159424518) is 1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for 1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for 1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate is CC(OC(=O)N1CCC(C)(N(C)C(=O)C2(c3cnccn3)CC2)CC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate?
The InChIKey is MUOXOJKSUNZHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O3/c1-13(19(20,21)22)29-16(28)26-10-6-17(2,7-11-26)25(3)15(27)18(4-5-18)14-12-23-8-9-24-14/h8-9,12-13H,4-7,10-11H2,1-3H3.
What are the key properties of 1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate?
1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate has a molecular weight of 414.43 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 159424518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).