propan-2-yl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate

C20H28ClN3O3 — CID 134373360

IUPACpropan-2-yl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C20H28ClN3O3/c1-12(2)27-19(26)24-7-5-14(6-8-24)20(3,4)18(25)16-10-15(21)9-13-11-22-23-17(13)16/h9-12,14,18,25H,5-8H2,1-4H3,(H,22,23)
InChIKeyYMWZRTCSVRRXIV-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.53
Rot. Bonds4

About propan-2-yl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate

propan-2-yl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate (PubChem CID 134373360) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is propan-2-yl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate
PubChem CID134373360
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC Namepropan-2-yl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C20H28ClN3O3/c1-12(2)27-19(26)24-7-5-14(6-8-24)20(3,4)18(25)16-10-15(21)9-13-11-22-23-17(13)16/h9-12,14,18,25H,5-8H2,1-4H3,(H,22,23)
InChIKeyYMWZRTCSVRRXIV-UHFFFAOYSA-N
XLogP4.53
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate (CID 134373360) is propan-2-yl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.
What is the InChIKey of propan-2-yl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate?
The InChIKey is YMWZRTCSVRRXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O3/c1-12(2)27-19(26)24-7-5-14(6-8-24)20(3,4)18(25)16-10-15(21)9-13-11-22-23-17(13)16/h9-12,14,18,25H,5-8H2,1-4H3,(H,22,23).
What are the key properties of propan-2-yl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate?
propan-2-yl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate has a molecular weight of 393.92 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 134373360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).