3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C19H24N4O3 — CID 134021810

IUPAC3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCN(C(=O)C(C)(C)C)CC3)c(=O)n2c1
InChIInChI=1S/C19H24N4O3/c1-13-5-6-15-20-11-14(17(25)23(15)12-13)16(24)21-7-9-22(10-8-21)18(26)19(2,3)4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyLBCSDFYAKPLSET-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.33
Rot. Bonds1

About 3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 134021810) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID134021810
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCN(C(=O)C(C)(C)C)CC3)c(=O)n2c1
InChIInChI=1S/C19H24N4O3/c1-13-5-6-15-20-11-14(17(25)23(15)12-13)16(24)21-7-9-22(10-8-21)18(26)19(2,3)4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyLBCSDFYAKPLSET-UHFFFAOYSA-N
XLogP1.33
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 134021810) is 3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2ncc(C(=O)N3CCN(C(=O)C(C)(C)C)CC3)c(=O)n2c1.
What is the InChIKey of 3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LBCSDFYAKPLSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-5-6-15-20-11-14(17(25)23(15)12-13)16(24)21-7-9-22(10-8-21)18(26)19(2,3)4/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 356.43 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 134021810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).