tert-butyl N-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamate

C18H26N4O4 — CID 139465059

IUPACtert-butyl N-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamate
SMILESCc1cc(NC(=O)OC(C)(C)C)c(=O)n2c1C(=O)N[C@@]21CCCN(C)C1
InChIInChI=1S/C18H26N4O4/c1-11-9-12(19-16(25)26-17(2,3)4)15(24)22-13(11)14(23)20-18(22)7-6-8-21(5)10-18/h9H,6-8,10H2,1-5H3,(H,19,25)(H,20,23)/t18-/m0/s1
InChIKeyGEPFTXMLVAQCOM-SFHVURJKSA-N
MW362.43 g/mol
LogP1.63
Rot. Bonds1

About tert-butyl N-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamate

tert-butyl N-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamate (PubChem CID 139465059) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamate
PubChem CID139465059
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Nametert-butyl N-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamate
SMILESCc1cc(NC(=O)OC(C)(C)C)c(=O)n2c1C(=O)N[C@@]21CCCN(C)C1
InChIInChI=1S/C18H26N4O4/c1-11-9-12(19-16(25)26-17(2,3)4)15(24)22-13(11)14(23)20-18(22)7-6-8-21(5)10-18/h9H,6-8,10H2,1-5H3,(H,19,25)(H,20,23)/t18-/m0/s1
InChIKeyGEPFTXMLVAQCOM-SFHVURJKSA-N
XLogP1.63
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[6-[(2'-hydroxy-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]carbamate
CID 118611668
6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methyl-1'-propan-2-ylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
CID 139479919
tert-butyl N-(4-hydroxy-2,3,5-trimethylphenyl)carbamate
CID 22048539
6-[(6-amino-2-oxo-1H-pyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118604458
tert-butyl N-[5-(1-aminocyclopentyl)-2-methylphenyl]carbamate
CID 117112807
tert-butyl N-[5-(1-aminocyclobutyl)-2-methylphenyl]carbamate
CID 117112937
tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate
CID 10609921
6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598796
2-[6-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]purin-9-yl]acetic acid
CID 135259067
CID 166460720
CID 166460720
8-methyl-6-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
CID 135259019
6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 162431069

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamate (CID 139465059) is tert-butyl N-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamate is Cc1cc(NC(=O)OC(C)(C)C)c(=O)n2c1C(=O)N[C@@]21CCCN(C)C1.
What is the InChIKey of tert-butyl N-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamate?
The InChIKey is GEPFTXMLVAQCOM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-11-9-12(19-16(25)26-17(2,3)4)15(24)22-13(11)14(23)20-18(22)7-6-8-21(5)10-18/h9H,6-8,10H2,1-5H3,(H,19,25)(H,20,23)/t18-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamate?
tert-butyl N-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamate has a molecular weight of 362.43 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamate is sourced from PubChem (CID 139465059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).