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

C14H18N4O4 — CID 139465057

IUPAC[(3R)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid
SMILESCc1cc(NC(=O)O)c(=O)n2c1C(=O)N[C@]21CCCN(C)C1
InChIInChI=1S/C14H18N4O4/c1-8-6-9(15-13(21)22)12(20)18-10(8)11(19)16-14(18)4-3-5-17(2)7-14/h6,15H,3-5,7H2,1-2H3,(H,16,19)(H,21,22)/t14-/m1/s1
InChIKeyWMZVEEKERXNNQZ-CQSZACIVSA-N
MW306.32 g/mol
LogP0.37
Rot. Bonds1

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

[(3R)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid (PubChem CID 139465057) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is [(3R)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid
PubChem CID139465057
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name[(3R)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid
SMILESCc1cc(NC(=O)O)c(=O)n2c1C(=O)N[C@]21CCCN(C)C1
InChIInChI=1S/C14H18N4O4/c1-8-6-9(15-13(21)22)12(20)18-10(8)11(19)16-14(18)4-3-5-17(2)7-14/h6,15H,3-5,7H2,1-2H3,(H,16,19)(H,21,22)/t14-/m1/s1
InChIKeyWMZVEEKERXNNQZ-CQSZACIVSA-N
XLogP0.37
TPSA103.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid?
The IUPAC name of [(3R)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid (CID 139465057) is [(3R)-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 [(3R)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid?
The canonical SMILES for [(3R)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid is Cc1cc(NC(=O)O)c(=O)n2c1C(=O)N[C@]21CCCN(C)C1.
What is the InChIKey of [(3R)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid?
The InChIKey is WMZVEEKERXNNQZ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-8-6-9(15-13(21)22)12(20)18-10(8)11(19)16-14(18)4-3-5-17(2)7-14/h6,15H,3-5,7H2,1-2H3,(H,16,19)(H,21,22)/t14-/m1/s1.
What are the key properties of [(3R)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid?
[(3R)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid has a molecular weight of 306.32 g/mol, XLogP of 0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid is sourced from PubChem (CID 139465057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).