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

C24H35N3O3 — CID 59433053

IUPACpropyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(C)=O)c2ccc(C)cc23)CC1
InChIInChI=1S/C24H35N3O3/c1-4-15-30-23(29)26-11-7-20(8-12-26)25-13-9-24(10-14-25)17-27(19(3)28)22-6-5-18(2)16-21(22)24/h5-6,16,20H,4,7-15,17H2,1-3H3
InChIKeyJIKNXTVQFZJQFE-UHFFFAOYSA-N
MW413.56 g/mol
LogP3.71
Rot. Bonds3

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

propyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate (PubChem CID 59433053) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is propyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
PubChem CID59433053
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Namepropyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(C)=O)c2ccc(C)cc23)CC1
InChIInChI=1S/C24H35N3O3/c1-4-15-30-23(29)26-11-7-20(8-12-26)25-13-9-24(10-14-25)17-27(19(3)28)22-6-5-18(2)16-21(22)24/h5-6,16,20H,4,7-15,17H2,1-3H3
InChIKeyJIKNXTVQFZJQFE-UHFFFAOYSA-N
XLogP3.71
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The IUPAC name of propyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate (CID 59433053) is propyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate.
What is the SMILES notation for propyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The canonical SMILES for propyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate is CCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(C)=O)c2ccc(C)cc23)CC1.
What is the InChIKey of propyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The InChIKey is JIKNXTVQFZJQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-4-15-30-23(29)26-11-7-20(8-12-26)25-13-9-24(10-14-25)17-27(19(3)28)22-6-5-18(2)16-21(22)24/h5-6,16,20H,4,7-15,17H2,1-3H3.
What are the key properties of propyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
propyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate has a molecular weight of 413.56 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate is sourced from PubChem (CID 59433053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).