4-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochloride

HCID 3078664

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Basic information

CAS: 122113-23-9
Standard SMILES: CCOC(=O)C1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1.Cl
InChIKey: LOTLECDUCLFZLA-UHFFFAOYSA-N
Molecular formula: C15H21ClN4O3
Average molar mass: 340.8 g/mol
Monoisotopic mass: 340.1302182

Names & identifiers

Preferred name: 4-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochloride
IUPAC: ethyl 1-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxylate;hydrochloride

Names & synonyms

122113-23-94-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochlorideRefChem:295626DTXSID30924083Ethyl 1-(7-methyl-6-oxo-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxylate--hydrogen chloride (1/1)

Database identifiers

CAS: 122113-23-9
PubChem CID: 3078664
DTXSID: DTXSID30924083

Properties

Computed structural properties

Topological polar surface area: 75.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 437

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