2-[3-(4-Methylpiperazin-1-yl)-3-oxopropyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one

C15H20N4O2 — CID 160063049

IUPAC2-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one
SMILESCN1CCN(CC1)C(=O)CCC2=NC3=C(CC=C3)C(=O)N2
InChIInChI=1S/C15H20N4O2/c1-18-7-9-19(10-8-18)14(20)6-5-13-16-12-4-2-3-11(12)15(21)17-13/h2,4H,3,5-10H2,1H3,(H,16,17,21)
InChIKeyATUQDRYCQAQFIU-UHFFFAOYSA-N
MW288.34 g/mol
LogP-0.70
Rot. Bonds3

About 2-[3-(4-Methylpiperazin-1-yl)-3-oxopropyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one

2-[3-(4-Methylpiperazin-1-yl)-3-oxopropyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one (PubChem CID 160063049) has the molecular formula C15H20N4O2 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[3-(4-Methylpiperazin-1-yl)-3-oxopropyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one
PubChem CID160063049
Molecular FormulaC15H20N4O2
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name2-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one
SMILESCN1CCN(CC1)C(=O)CCC2=NC3=C(CC=C3)C(=O)N2
InChIInChI=1S/C15H20N4O2/c1-18-7-9-19(10-8-18)14(20)6-5-13-16-12-4-2-3-11(12)15(21)17-13/h2,4H,3,5-10H2,1H3,(H,16,17,21)
InChIKeyATUQDRYCQAQFIU-UHFFFAOYSA-N
XLogP-0.70
TPSA65.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity554

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-Methylpiperazin-1-yl)-3-oxopropyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-[3-(4-Methylpiperazin-1-yl)-3-oxopropyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one (CID 160063049) is 2-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-[3-(4-Methylpiperazin-1-yl)-3-oxopropyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-[3-(4-Methylpiperazin-1-yl)-3-oxopropyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one is CN1CCN(CC1)C(=O)CCC2=NC3=C(CC=C3)C(=O)N2.
What is the InChIKey of 2-[3-(4-Methylpiperazin-1-yl)-3-oxopropyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is ATUQDRYCQAQFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-18-7-9-19(10-8-18)14(20)6-5-13-16-12-4-2-3-11(12)15(21)17-13/h2,4H,3,5-10H2,1H3,(H,16,17,21).
What are the key properties of 2-[3-(4-Methylpiperazin-1-yl)-3-oxopropyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one?
2-[3-(4-Methylpiperazin-1-yl)-3-oxopropyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 288.34 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-Methylpiperazin-1-yl)-3-oxopropyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 160063049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).