1,1,1,3,3,3-hexafluoropropan-2-yl 4-(1H-indazol-6-ylcarbamoylamino)piperidine-1-carboxylate

C17H17F6N5O3 — CID 89480646

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl 4-(1H-indazol-6-ylcarbamoylamino)piperidine-1-carboxylate
SMILESO=C(Nc1ccc2cn[nH]c2c1)NC1CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C17H17F6N5O3/c18-16(19,20)13(17(21,22)23)31-15(30)28-5-3-10(4-6-28)25-14(29)26-11-2-1-9-8-24-27-12(9)7-11/h1-2,7-8,10,13H,3-6H2,(H,24,27)(H2,25,26,29)
InChIKeyUDOIPGKZSKMVDI-UHFFFAOYSA-N
MW453.34 g/mol
LogP3.78
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoropropan-2-yl 4-(1H-indazol-6-ylcarbamoylamino)piperidine-1-carboxylate

1,1,1,3,3,3-hexafluoropropan-2-yl 4-(1H-indazol-6-ylcarbamoylamino)piperidine-1-carboxylate (PubChem CID 89480646) has the molecular formula C17H17F6N5O3 and a molecular weight of 453.34 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-(1H-indazol-6-ylcarbamoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl 4-(1H-indazol-6-ylcarbamoylamino)piperidine-1-carboxylate
PubChem CID89480646
Molecular FormulaC17H17F6N5O3
Molecular Weight453.34 g/mol
Exact Mass453.12
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 4-(1H-indazol-6-ylcarbamoylamino)piperidine-1-carboxylate
SMILESO=C(Nc1ccc2cn[nH]c2c1)NC1CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C17H17F6N5O3/c18-16(19,20)13(17(21,22)23)31-15(30)28-5-3-10(4-6-28)25-14(29)26-11-2-1-9-8-24-27-12(9)7-11/h1-2,7-8,10,13H,3-6H2,(H,24,27)(H2,25,26,29)
InChIKeyUDOIPGKZSKMVDI-UHFFFAOYSA-N
XLogP3.78
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.34
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-(1H-indazol-6-ylcarbamoylamino)piperidine-1-carboxylate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-(1H-indazol-6-ylcarbamoylamino)piperidine-1-carboxylate (CID 89480646) is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-(1H-indazol-6-ylcarbamoylamino)piperidine-1-carboxylate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-(1H-indazol-6-ylcarbamoylamino)piperidine-1-carboxylate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-(1H-indazol-6-ylcarbamoylamino)piperidine-1-carboxylate is O=C(Nc1ccc2cn[nH]c2c1)NC1CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-(1H-indazol-6-ylcarbamoylamino)piperidine-1-carboxylate?
The InChIKey is UDOIPGKZSKMVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F6N5O3/c18-16(19,20)13(17(21,22)23)31-15(30)28-5-3-10(4-6-28)25-14(29)26-11-2-1-9-8-24-27-12(9)7-11/h1-2,7-8,10,13H,3-6H2,(H,24,27)(H2,25,26,29).
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-(1H-indazol-6-ylcarbamoylamino)piperidine-1-carboxylate?
1,1,1,3,3,3-hexafluoropropan-2-yl 4-(1H-indazol-6-ylcarbamoylamino)piperidine-1-carboxylate has a molecular weight of 453.34 g/mol, XLogP of 3.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-(1H-indazol-6-ylcarbamoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 89480646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).