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

C14H18N4O4 — CID 135307395

IUPAC(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)NC21CCCN(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)
InChIKeyWMZVEEKERXNNQZ-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.37
Rot. Bonds1

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

(1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl)carbamic acid (PubChem CID 135307395) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is (1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl)carbamic acid.

Molecular Properties

Compound Name(1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl)carbamic acid
PubChem CID135307395
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name(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)NC21CCCN(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)
InChIKeyWMZVEEKERXNNQZ-UHFFFAOYSA-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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Related Compounds

6-amino-8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 132122257
6-amino-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 134382162
[1-[[(2R)-5,11-dioxo-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-trien-2-yl]methyl]piperidin-4-yl]carbamic acid
CID 68595961
[1-[(5,11-Dioxo-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-trien-2-yl)methyl]piperidin-4-yl]carbamic acid
CID 68597772
6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
CID 118598841
(3S)-6-amino-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
CID 135307387
(3R)-6-amino-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
CID 135307393
[(3R)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid
CID 139465057
tert-butyl-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid
CID 139465058
tert-butyl N-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamate
CID 139465059
[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamic acid
CID 139465060
tert-butyl N-[(3R)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamate
CID 139479913

Frequently Asked Questions

What is the IUPAC name of (1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl)carbamic acid?
The IUPAC name of (1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl)carbamic acid (CID 135307395) is (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 (1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl)carbamic acid?
The canonical SMILES for (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)NC21CCCN(C)C1.
What is the InChIKey of (1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl)carbamic acid?
The InChIKey is WMZVEEKERXNNQZ-UHFFFAOYSA-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).
What are the key properties of (1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl)carbamic acid?
(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 (1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl)carbamic acid is sourced from PubChem (CID 135307395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).