cyclobutyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate

C25H35N3O3 — CID 59433761

IUPACcyclobutyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
SMILESCC(=O)N1CC2(CCN(C3CCN(C(=O)OC4CCC4)CC3)CC2)c2cc(C)ccc21
InChIInChI=1S/C25H35N3O3/c1-18-6-7-23-22(16-18)25(17-28(23)19(2)29)10-14-26(15-11-25)20-8-12-27(13-9-20)24(30)31-21-4-3-5-21/h6-7,16,20-21H,3-5,8-15,17H2,1-2H3
InChIKeyQAAMXEWQNCZABG-UHFFFAOYSA-N
MW425.57 g/mol
LogP3.85
Rot. Bonds2

About cyclobutyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate

cyclobutyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate (PubChem CID 59433761) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is cyclobutyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namecyclobutyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
PubChem CID59433761
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Namecyclobutyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
SMILESCC(=O)N1CC2(CCN(C3CCN(C(=O)OC4CCC4)CC3)CC2)c2cc(C)ccc21
InChIInChI=1S/C25H35N3O3/c1-18-6-7-23-22(16-18)25(17-28(23)19(2)29)10-14-26(15-11-25)20-8-12-27(13-9-20)24(30)31-21-4-3-5-21/h6-7,16,20-21H,3-5,8-15,17H2,1-2H3
InChIKeyQAAMXEWQNCZABG-UHFFFAOYSA-N
XLogP3.85
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The IUPAC name of cyclobutyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate (CID 59433761) is cyclobutyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate.
What is the SMILES notation for cyclobutyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The canonical SMILES for cyclobutyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate is CC(=O)N1CC2(CCN(C3CCN(C(=O)OC4CCC4)CC3)CC2)c2cc(C)ccc21.
What is the InChIKey of cyclobutyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The InChIKey is QAAMXEWQNCZABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-18-6-7-23-22(16-18)25(17-28(23)19(2)29)10-14-26(15-11-25)20-8-12-27(13-9-20)24(30)31-21-4-3-5-21/h6-7,16,20-21H,3-5,8-15,17H2,1-2H3.
What are the key properties of cyclobutyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
cyclobutyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate has a molecular weight of 425.57 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate is sourced from PubChem (CID 59433761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).