1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-methoxyethanone

C14H20N4O2 — CID 53192947

IUPAC1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C14H20N4O2/c1-20-9-13(19)17-5-7-18(8-6-17)14-11-3-2-4-12(11)15-10-16-14/h10H,2-9H2,1H3
InChIKeyIYPXXYPKVTZUFV-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.26
Rot. Bonds3

About 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-methoxyethanone

1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-methoxyethanone (PubChem CID 53192947) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-methoxyethanone
PubChem CID53192947
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C14H20N4O2/c1-20-9-13(19)17-5-7-18(8-6-17)14-11-3-2-4-12(11)15-10-16-14/h10H,2-9H2,1H3
InChIKeyIYPXXYPKVTZUFV-UHFFFAOYSA-N
XLogP0.26
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-methoxyethanone (CID 53192947) is 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(c2ncnc3c2CCC3)CC1.
What is the InChIKey of 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-methoxyethanone?
The InChIKey is IYPXXYPKVTZUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-20-9-13(19)17-5-7-18(8-6-17)14-11-3-2-4-12(11)15-10-16-14/h10H,2-9H2,1H3.
What are the key properties of 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-methoxyethanone?
1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-methoxyethanone has a molecular weight of 276.34 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 53192947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).