tert-butyl (3R)-3-[[[5-(difluoromethyl)-1H-pyrazole-3-carbonyl]amino]methyl]piperidine-1-carboxylate

C16H24F2N4O3 — CID 155957953

IUPACtert-butyl (3R)-3-[[[5-(difluoromethyl)-1H-pyrazole-3-carbonyl]amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2cc(C(F)F)[nH]n2)C1
InChIInChI=1S/C16H24F2N4O3/c1-16(2,3)25-15(24)22-6-4-5-10(9-22)8-19-14(23)12-7-11(13(17)18)20-21-12/h7,10,13H,4-6,8-9H2,1-3H3,(H,19,23)(H,20,21)/t10-/m1/s1
InChIKeyVKYOQIKSDBLWMW-SNVBAGLBSA-N
MW358.39 g/mol
LogP2.72
Rot. Bonds4

About tert-butyl (3R)-3-[[[5-(difluoromethyl)-1H-pyrazole-3-carbonyl]amino]methyl]piperidine-1-carboxylate

tert-butyl (3R)-3-[[[5-(difluoromethyl)-1H-pyrazole-3-carbonyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 155957953) has the molecular formula C16H24F2N4O3 and a molecular weight of 358.39 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[[5-(difluoromethyl)-1H-pyrazole-3-carbonyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[[5-(difluoromethyl)-1H-pyrazole-3-carbonyl]amino]methyl]piperidine-1-carboxylate
PubChem CID155957953
Molecular FormulaC16H24F2N4O3
Molecular Weight358.39 g/mol
Exact Mass358.18
IUPAC Nametert-butyl (3R)-3-[[[5-(difluoromethyl)-1H-pyrazole-3-carbonyl]amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2cc(C(F)F)[nH]n2)C1
InChIInChI=1S/C16H24F2N4O3/c1-16(2,3)25-15(24)22-6-4-5-10(9-22)8-19-14(23)12-7-11(13(17)18)20-21-12/h7,10,13H,4-6,8-9H2,1-3H3,(H,19,23)(H,20,21)/t10-/m1/s1
InChIKeyVKYOQIKSDBLWMW-SNVBAGLBSA-N
XLogP2.72
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3R)-3-[[[5-(difluoromethyl)-1H-pyrazole-3-carbonyl]amino]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (3S)-3-[[(5-bromo-1,3-thiazole-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 140882424
tert-butyl (3S)-3-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 86329315
tert-butyl 3-[[[(2S)-2-aminopropanoyl]amino]methyl]piperidine-1-carboxylate
CID 66564087
tert-butyl 3-[(2-methylbutanoylamino)methyl]piperidine-1-carboxylate
CID 60618286
tert-butyl (3S)-3-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)methyl]piperidine-1-carboxylate
CID 97172233
tert-butyl 3-[(2,6-dibromoanilino)methyl]piperidine-1-carboxylate
CID 107597491
tert-butyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]piperidine-1-carboxylate
CID 103529632
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851
tert-butyl (3R)-3-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]piperidine-1-carboxylate
CID 96552209
tert-butyl (3S)-3-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]piperidine-1-carboxylate
CID 96552208
tert-butyl 3-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]piperidine-1-carboxylate
CID 66564161
tert-butyl 3-[[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]methyl]piperidine-1-carboxylate
CID 86877406

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[[5-(difluoromethyl)-1H-pyrazole-3-carbonyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[[5-(difluoromethyl)-1H-pyrazole-3-carbonyl]amino]methyl]piperidine-1-carboxylate (CID 155957953) is tert-butyl (3R)-3-[[[5-(difluoromethyl)-1H-pyrazole-3-carbonyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[[5-(difluoromethyl)-1H-pyrazole-3-carbonyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[[5-(difluoromethyl)-1H-pyrazole-3-carbonyl]amino]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2cc(C(F)F)[nH]n2)C1.
What is the InChIKey of tert-butyl (3R)-3-[[[5-(difluoromethyl)-1H-pyrazole-3-carbonyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is VKYOQIKSDBLWMW-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H24F2N4O3/c1-16(2,3)25-15(24)22-6-4-5-10(9-22)8-19-14(23)12-7-11(13(17)18)20-21-12/h7,10,13H,4-6,8-9H2,1-3H3,(H,19,23)(H,20,21)/t10-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[[5-(difluoromethyl)-1H-pyrazole-3-carbonyl]amino]methyl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[[[5-(difluoromethyl)-1H-pyrazole-3-carbonyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 358.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[[5-(difluoromethyl)-1H-pyrazole-3-carbonyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 155957953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).