tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]methyl]piperidine-1-carboxylate

C19H31N3O4 — CID 121305399

IUPACtert-butyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2cnn(C(=O)OC(C)(C)C)c2)CC1
InChIInChI=1S/C19H31N3O4/c1-18(2,3)25-16(23)21-9-7-14(8-10-21)11-15-12-20-22(13-15)17(24)26-19(4,5)6/h12-14H,7-11H2,1-6H3
InChIKeyZPQMTCVNBYFOOR-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.86
Rot. Bonds2

About tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]methyl]piperidine-1-carboxylate

tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]methyl]piperidine-1-carboxylate (PubChem CID 121305399) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]methyl]piperidine-1-carboxylate
PubChem CID121305399
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Nametert-butyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2cnn(C(=O)OC(C)(C)C)c2)CC1
InChIInChI=1S/C19H31N3O4/c1-18(2,3)25-16(23)21-9-7-14(8-10-21)11-15-12-20-22(13-15)17(24)26-19(4,5)6/h12-14H,7-11H2,1-6H3
InChIKeyZPQMTCVNBYFOOR-UHFFFAOYSA-N
XLogP3.86
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]methyl]piperidine-1-carboxylate (CID 121305399) is tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Cc2cnn(C(=O)OC(C)(C)C)c2)CC1.
What is the InChIKey of tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]methyl]piperidine-1-carboxylate?
The InChIKey is ZPQMTCVNBYFOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4/c1-18(2,3)25-16(23)21-9-7-14(8-10-21)11-15-12-20-22(13-15)17(24)26-19(4,5)6/h12-14H,7-11H2,1-6H3.
What are the key properties of tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]methyl]piperidine-1-carboxylate has a molecular weight of 365.47 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 121305399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).