methyl 4-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]piperazine-1-carboxylate

C26H38N4O4 — CID 24959291

IUPACmethyl 4-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2cc3cc(OC4CCN(C(C)C)CC4)ccc3n2C(C)C)CC1
InChIInChI=1S/C26H38N4O4/c1-18(2)27-10-8-21(9-11-27)34-22-6-7-23-20(16-22)17-24(30(23)19(3)4)25(31)28-12-14-29(15-13-28)26(32)33-5/h6-7,16-19,21H,8-15H2,1-5H3
InChIKeyXFHKNIPTEPSVRZ-UHFFFAOYSA-N
MW470.61 g/mol
LogP4.00
Rot. Bonds5

About methyl 4-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]piperazine-1-carboxylate

methyl 4-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]piperazine-1-carboxylate (PubChem CID 24959291) has the molecular formula C26H38N4O4 and a molecular weight of 470.61 g/mol. Its IUPAC name is methyl 4-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]piperazine-1-carboxylate
PubChem CID24959291
Molecular FormulaC26H38N4O4
Molecular Weight470.61 g/mol
Exact Mass470.29
IUPAC Namemethyl 4-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2cc3cc(OC4CCN(C(C)C)CC4)ccc3n2C(C)C)CC1
InChIInChI=1S/C26H38N4O4/c1-18(2)27-10-8-21(9-11-27)34-22-6-7-23-20(16-22)17-24(30(23)19(3)4)25(31)28-12-14-29(15-13-28)26(32)33-5/h6-7,16-19,21H,8-15H2,1-5H3
InChIKeyXFHKNIPTEPSVRZ-UHFFFAOYSA-N
XLogP4.00
TPSA67.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]piperazine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]piperazine-1-carboxylate (CID 24959291) is methyl 4-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)c2cc3cc(OC4CCN(C(C)C)CC4)ccc3n2C(C)C)CC1.
What is the InChIKey of methyl 4-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]piperazine-1-carboxylate?
The InChIKey is XFHKNIPTEPSVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O4/c1-18(2)27-10-8-21(9-11-27)34-22-6-7-23-20(16-22)17-24(30(23)19(3)4)25(31)28-12-14-29(15-13-28)26(32)33-5/h6-7,16-19,21H,8-15H2,1-5H3.
What are the key properties of methyl 4-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]piperazine-1-carboxylate?
methyl 4-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]piperazine-1-carboxylate has a molecular weight of 470.61 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 24959291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).