ethyl 1-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carbonyl)piperidine-3-carboxylate

C19H23N3O4 — CID 46355194

IUPACethyl 1-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc3c(c2)nc2n3CCOC2)C1
InChIInChI=1S/C19H23N3O4/c1-2-26-19(24)14-4-3-7-21(11-14)18(23)13-5-6-16-15(10-13)20-17-12-25-9-8-22(16)17/h5-6,10,14H,2-4,7-9,11-12H2,1H3
InChIKeyVWCYIJMDKWDIBZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.98
Rot. Bonds3

About ethyl 1-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carbonyl)piperidine-3-carboxylate

ethyl 1-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carbonyl)piperidine-3-carboxylate (PubChem CID 46355194) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is ethyl 1-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carbonyl)piperidine-3-carboxylate
PubChem CID46355194
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Nameethyl 1-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc3c(c2)nc2n3CCOC2)C1
InChIInChI=1S/C19H23N3O4/c1-2-26-19(24)14-4-3-7-21(11-14)18(23)13-5-6-16-15(10-13)20-17-12-25-9-8-22(16)17/h5-6,10,14H,2-4,7-9,11-12H2,1H3
InChIKeyVWCYIJMDKWDIBZ-UHFFFAOYSA-N
XLogP1.98
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carbonyl)piperidine-3-carboxylate with MolForge

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Related Compounds

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ethyl (3S)-1-(4-chloro-3-fluorobenzoyl)piperidine-3-carboxylate
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ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carbonyl)piperidine-3-carboxylate (CID 46355194) is ethyl 1-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2ccc3c(c2)nc2n3CCOC2)C1.
What is the InChIKey of ethyl 1-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carbonyl)piperidine-3-carboxylate?
The InChIKey is VWCYIJMDKWDIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-2-26-19(24)14-4-3-7-21(11-14)18(23)13-5-6-16-15(10-13)20-17-12-25-9-8-22(16)17/h5-6,10,14H,2-4,7-9,11-12H2,1H3.
What are the key properties of ethyl 1-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carbonyl)piperidine-3-carboxylate?
ethyl 1-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carbonyl)piperidine-3-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 46355194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).