ethyl 4-[1-[di(propan-2-yl)carbamoylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate

C28H44N4O3 — CID 58815543

IUPACethyl 4-[1-[di(propan-2-yl)carbamoylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC3(CC2)CC(NC(=O)N(C(C)C)C(C)C)c2ccccc23)CC1
InChIInChI=1S/C28H44N4O3/c1-6-35-27(34)31-15-11-22(12-16-31)30-17-13-28(14-18-30)19-25(23-9-7-8-10-24(23)28)29-26(33)32(20(2)3)21(4)5/h7-10,20-22,25H,6,11-19H2,1-5H3,(H,29,33)
InChIKeyNCRBEYVKKJIISX-UHFFFAOYSA-N
MW484.69 g/mol
LogP4.91
Rot. Bonds5

About ethyl 4-[1-[di(propan-2-yl)carbamoylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate

ethyl 4-[1-[di(propan-2-yl)carbamoylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate (PubChem CID 58815543) has the molecular formula C28H44N4O3 and a molecular weight of 484.69 g/mol. Its IUPAC name is ethyl 4-[1-[di(propan-2-yl)carbamoylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-[di(propan-2-yl)carbamoylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
PubChem CID58815543
Molecular FormulaC28H44N4O3
Molecular Weight484.69 g/mol
Exact Mass484.34
IUPAC Nameethyl 4-[1-[di(propan-2-yl)carbamoylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC3(CC2)CC(NC(=O)N(C(C)C)C(C)C)c2ccccc23)CC1
InChIInChI=1S/C28H44N4O3/c1-6-35-27(34)31-15-11-22(12-16-31)30-17-13-28(14-18-30)19-25(23-9-7-8-10-24(23)28)29-26(33)32(20(2)3)21(4)5/h7-10,20-22,25H,6,11-19H2,1-5H3,(H,29,33)
InChIKeyNCRBEYVKKJIISX-UHFFFAOYSA-N
XLogP4.91
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.69
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-[di(propan-2-yl)carbamoylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[1-[di(propan-2-yl)carbamoylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate (CID 58815543) is ethyl 4-[1-[di(propan-2-yl)carbamoylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-[di(propan-2-yl)carbamoylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-[di(propan-2-yl)carbamoylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC3(CC2)CC(NC(=O)N(C(C)C)C(C)C)c2ccccc23)CC1.
What is the InChIKey of ethyl 4-[1-[di(propan-2-yl)carbamoylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The InChIKey is NCRBEYVKKJIISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N4O3/c1-6-35-27(34)31-15-11-22(12-16-31)30-17-13-28(14-18-30)19-25(23-9-7-8-10-24(23)28)29-26(33)32(20(2)3)21(4)5/h7-10,20-22,25H,6,11-19H2,1-5H3,(H,29,33).
What are the key properties of ethyl 4-[1-[di(propan-2-yl)carbamoylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
ethyl 4-[1-[di(propan-2-yl)carbamoylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate has a molecular weight of 484.69 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-[di(propan-2-yl)carbamoylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate is sourced from PubChem (CID 58815543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).