tert-butyl N-methyl-N-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate

C15H23F3N4O2 — CID 165119706

IUPACtert-butyl N-methyl-N-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc(C(F)(F)F)[nH]n2)C1
InChIInChI=1S/C15H23F3N4O2/c1-14(2,3)24-13(23)21(4)10-6-5-7-22(9-10)12-8-11(19-20-12)15(16,17)18/h8,10H,5-7,9H2,1-4H3,(H,19,20)/t10-/m1/s1
InChIKeyQNMNPNKARBNSTO-SNVBAGLBSA-N
MW348.37 g/mol
LogP3.26
Rot. Bonds2

About tert-butyl N-methyl-N-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate

tert-butyl N-methyl-N-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate (PubChem CID 165119706) has the molecular formula C15H23F3N4O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate
PubChem CID165119706
Molecular FormulaC15H23F3N4O2
Molecular Weight348.37 g/mol
Exact Mass348.18
IUPAC Nametert-butyl N-methyl-N-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc(C(F)(F)F)[nH]n2)C1
InChIInChI=1S/C15H23F3N4O2/c1-14(2,3)24-13(23)21(4)10-6-5-7-22(9-10)12-8-11(19-20-12)15(16,17)18/h8,10H,5-7,9H2,1-4H3,(H,19,20)/t10-/m1/s1
InChIKeyQNMNPNKARBNSTO-SNVBAGLBSA-N
XLogP3.26
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate (CID 165119706) is tert-butyl N-methyl-N-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate is CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc(C(F)(F)F)[nH]n2)C1.
What is the InChIKey of tert-butyl N-methyl-N-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate?
The InChIKey is QNMNPNKARBNSTO-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H23F3N4O2/c1-14(2,3)24-13(23)21(4)10-6-5-7-22(9-10)12-8-11(19-20-12)15(16,17)18/h8,10H,5-7,9H2,1-4H3,(H,19,20)/t10-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate?
tert-butyl N-methyl-N-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate has a molecular weight of 348.37 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate is sourced from PubChem (CID 165119706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).