2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C21H28N4O2 — CID 128926010

IUPAC2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(CCC1CCCC1)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C21H28N4O2/c26-20(9-8-17-5-1-2-6-17)24-13-11-23(12-14-24)16-18-15-21(27)25-10-4-3-7-19(25)22-18/h3-4,7,10,15,17H,1-2,5-6,8-9,11-14,16H2
InChIKeyGBBXWMWWSXVZHL-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.31
Rot. Bonds5

About 2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 128926010) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID128926010
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(CCC1CCCC1)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C21H28N4O2/c26-20(9-8-17-5-1-2-6-17)24-13-11-23(12-14-24)16-18-15-21(27)25-10-4-3-7-19(25)22-18/h3-4,7,10,15,17H,1-2,5-6,8-9,11-14,16H2
InChIKeyGBBXWMWWSXVZHL-UHFFFAOYSA-N
XLogP2.31
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 128926010) is 2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=C(CCC1CCCC1)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1.
What is the InChIKey of 2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GBBXWMWWSXVZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-20(9-8-17-5-1-2-6-17)24-13-11-23(12-14-24)16-18-15-21(27)25-10-4-3-7-19(25)22-18/h3-4,7,10,15,17H,1-2,5-6,8-9,11-14,16H2.
What are the key properties of 2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 368.48 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 128926010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).