3-[[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]amino]pyrido[1,2-a]pyrimidin-4-one

C22H23N5O4 — CID 44782803

IUPAC3-[[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]amino]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)CNc3cnc4ccccn4c3=O)CC2)cc1
InChIInChI=1S/C22H23N5O4/c1-31-17-7-5-16(6-8-17)21(29)26-12-10-25(11-13-26)20(28)15-23-18-14-24-19-4-2-3-9-27(19)22(18)30/h2-9,14,23H,10-13,15H2,1H3
InChIKeyYSCDSWLAVAPQPP-UHFFFAOYSA-N
MW421.46 g/mol
LogP1.10
Rot. Bonds5

About 3-[[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]amino]pyrido[1,2-a]pyrimidin-4-one

3-[[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]amino]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 44782803) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is 3-[[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]amino]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]amino]pyrido[1,2-a]pyrimidin-4-one
PubChem CID44782803
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name3-[[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]amino]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)CNc3cnc4ccccn4c3=O)CC2)cc1
InChIInChI=1S/C22H23N5O4/c1-31-17-7-5-16(6-8-17)21(29)26-12-10-25(11-13-26)20(28)15-23-18-14-24-19-4-2-3-9-27(19)22(18)30/h2-9,14,23H,10-13,15H2,1H3
InChIKeyYSCDSWLAVAPQPP-UHFFFAOYSA-N
XLogP1.10
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]amino]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

1-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 44782736
N-(3-chlorophenyl)-4-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetyl]piperazine-1-carboxamide
CID 44782815
3-(4-methoxybenzoyl)pyrido[1,2-a]pyrimidin-4-one
CID 97032771
2-(4-acetylanilino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 90276084
1-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 46578919
2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 86927912
3-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 46472728
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
N-(2-hydroxyethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide
CID 44782669
[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 57050933
2-(4-methoxyphenoxy)-1-[4-(4-phenylbenzoyl)piperazin-1-yl]ethanone
CID 2877986
4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 6457996

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]amino]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]amino]pyrido[1,2-a]pyrimidin-4-one (CID 44782803) is 3-[[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]amino]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]amino]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]amino]pyrido[1,2-a]pyrimidin-4-one is COc1ccc(C(=O)N2CCN(C(=O)CNc3cnc4ccccn4c3=O)CC2)cc1.
What is the InChIKey of 3-[[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]amino]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YSCDSWLAVAPQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-31-17-7-5-16(6-8-17)21(29)26-12-10-25(11-13-26)20(28)15-23-18-14-24-19-4-2-3-9-27(19)22(18)30/h2-9,14,23H,10-13,15H2,1H3.
What are the key properties of 3-[[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]amino]pyrido[1,2-a]pyrimidin-4-one?
3-[[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]amino]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 421.46 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]amino]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 44782803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).