3-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride

C17H21ClN4O3 — CID 154913669

IUPAC3-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.O=C(c1cnc2ccccn2c1=O)N1CCOC2(CCNCC2)C1
InChIInChI=1S/C17H20N4O3.ClH/c22-15(13-11-19-14-3-1-2-8-21(14)16(13)23)20-9-10-24-17(12-20)4-6-18-7-5-17;/h1-3,8,11,18H,4-7,9-10,12H2;1H
InChIKeyCEKZTYHVBASDBI-UHFFFAOYSA-N
MW364.83 g/mol
LogP0.71
Rot. Bonds1

About 3-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride

3-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 154913669) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is 3-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID154913669
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name3-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.O=C(c1cnc2ccccn2c1=O)N1CCOC2(CCNCC2)C1
InChIInChI=1S/C17H20N4O3.ClH/c22-15(13-11-19-14-3-1-2-8-21(14)16(13)23)20-9-10-24-17(12-20)4-6-18-7-5-17;/h1-3,8,11,18H,4-7,9-10,12H2;1H
InChIKeyCEKZTYHVBASDBI-UHFFFAOYSA-N
XLogP0.71
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 3-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 154913669) is 3-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 3-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 3-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cl.O=C(c1cnc2ccccn2c1=O)N1CCOC2(CCNCC2)C1.
What is the InChIKey of 3-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is CEKZTYHVBASDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3.ClH/c22-15(13-11-19-14-3-1-2-8-21(14)16(13)23)20-9-10-24-17(12-20)4-6-18-7-5-17;/h1-3,8,11,18H,4-7,9-10,12H2;1H.
What are the key properties of 3-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
3-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 364.83 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 154913669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).