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

C18H26N4O4 — CID 139465058

IUPACtert-butyl-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid
SMILESCc1cc(N(C(=O)O)C(C)(C)C)c(=O)n2c1C(=O)N[C@@]21CCCN(C)C1
InChIInChI=1S/C18H26N4O4/c1-11-9-12(21(16(25)26)17(2,3)4)15(24)22-13(11)14(23)19-18(22)7-6-8-20(5)10-18/h9H,6-8,10H2,1-5H3,(H,19,23)(H,25,26)/t18-/m0/s1
InChIKeyXWTGKJXVEQVWFK-SFHVURJKSA-N
MW362.43 g/mol
LogP1.56
Rot. Bonds1

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

tert-butyl-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid (PubChem CID 139465058) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is tert-butyl-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid
PubChem CID139465058
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Nametert-butyl-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid
SMILESCc1cc(N(C(=O)O)C(C)(C)C)c(=O)n2c1C(=O)N[C@@]21CCCN(C)C1
InChIInChI=1S/C18H26N4O4/c1-11-9-12(21(16(25)26)17(2,3)4)15(24)22-13(11)14(23)19-18(22)7-6-8-20(5)10-18/h9H,6-8,10H2,1-5H3,(H,19,23)(H,25,26)/t18-/m0/s1
InChIKeyXWTGKJXVEQVWFK-SFHVURJKSA-N
XLogP1.56
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid?
The IUPAC name of tert-butyl-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid (CID 139465058) is tert-butyl-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid is Cc1cc(N(C(=O)O)C(C)(C)C)c(=O)n2c1C(=O)N[C@@]21CCCN(C)C1.
What is the InChIKey of tert-butyl-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid?
The InChIKey is XWTGKJXVEQVWFK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-11-9-12(21(16(25)26)17(2,3)4)15(24)22-13(11)14(23)19-18(22)7-6-8-20(5)10-18/h9H,6-8,10H2,1-5H3,(H,19,23)(H,25,26)/t18-/m0/s1.
What are the key properties of tert-butyl-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid?
tert-butyl-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid has a molecular weight of 362.43 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid is sourced from PubChem (CID 139465058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).