tert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate

C17H29N3O2 — CID 170927522

IUPACtert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(C)(C)C)cn2)C1
InChIInChI=1S/C17H29N3O2/c1-16(2,3)13-10-18-20(11-13)14-8-7-9-19(12-14)15(21)22-17(4,5)6/h10-11,14H,7-9,12H2,1-6H3/t14-/m1/s1
InChIKeyMNYYLAJPBAXDBP-CQSZACIVSA-N
MW307.44 g/mol
LogP3.75
Rot. Bonds1

About tert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate

tert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate (PubChem CID 170927522) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is tert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate
PubChem CID170927522
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Nametert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(C)(C)C)cn2)C1
InChIInChI=1S/C17H29N3O2/c1-16(2,3)13-10-18-20(11-13)14-8-7-9-19(12-14)15(21)22-17(4,5)6/h10-11,14H,7-9,12H2,1-6H3/t14-/m1/s1
InChIKeyMNYYLAJPBAXDBP-CQSZACIVSA-N
XLogP3.75
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl 3-[4-[pentyl(propan-2-yl)carbamoyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 119039321
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CID 100684358
tert-butyl 3-[4-(aziridine-1-carbonyl)triazol-1-yl]piperidine-1-carboxylate
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tert-butyl (3S)-3-(4-cyanopyrazol-1-yl)pyrrolidine-1-carboxylate
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tert-butyl 3-(4-nitropyrazol-1-yl)pyrrolidine-1-carboxylate;ethane
CID 156721962
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxylate
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tert-butyl 3-(4-carbamoyl-3-methylpyrazol-1-yl)piperidine-1-carboxylate;ethane;methane
CID 144571732
tert-butyl (3S)-3-[4-(3-cyano-4-hydroxypyrazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 171848191
tert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate (CID 170927522) is tert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(C)(C)C)cn2)C1.
What is the InChIKey of tert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate?
The InChIKey is MNYYLAJPBAXDBP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-16(2,3)13-10-18-20(11-13)14-8-7-9-19(12-14)15(21)22-17(4,5)6/h10-11,14H,7-9,12H2,1-6H3/t14-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate?
tert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate has a molecular weight of 307.44 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 170927522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).