tert-butyl 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidine-1-carboxylate

C16H25N3O3 — CID 125423629

IUPACtert-butyl 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2n[nH]c3c2COCC3)CC1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-7-4-11(5-8-19)14-12-10-21-9-6-13(12)17-18-14/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyCMQSVZQHMOJSHC-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.60
Rot. Bonds1

About tert-butyl 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidine-1-carboxylate

tert-butyl 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidine-1-carboxylate (PubChem CID 125423629) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidine-1-carboxylate
PubChem CID125423629
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nametert-butyl 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2n[nH]c3c2COCC3)CC1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-7-4-11(5-8-19)14-12-10-21-9-6-13(12)17-18-14/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyCMQSVZQHMOJSHC-UHFFFAOYSA-N
XLogP2.60
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidine-1-carboxylate (CID 125423629) is tert-butyl 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2n[nH]c3c2COCC3)CC1.
What is the InChIKey of tert-butyl 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidine-1-carboxylate?
The InChIKey is CMQSVZQHMOJSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-7-4-11(5-8-19)14-12-10-21-9-6-13(12)17-18-14/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidine-1-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 125423629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).