2-(4-phenylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C17H20N4O — CID 135500938

IUPAC2-(4-phenylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCN(c3ccccc3)CC2)nc2c1CCC2
InChIInChI=1S/C17H20N4O/c22-16-14-7-4-8-15(14)18-17(19-16)21-11-9-20(10-12-21)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,18,19,22)
InChIKeyGFJGWBGVLQJDFB-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.59
Rot. Bonds2

About 2-(4-phenylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-(4-phenylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 135500938) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID135500938
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-(4-phenylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCN(c3ccccc3)CC2)nc2c1CCC2
InChIInChI=1S/C17H20N4O/c22-16-14-7-4-8-15(14)18-17(19-16)21-11-9-20(10-12-21)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,18,19,22)
InChIKeyGFJGWBGVLQJDFB-UHFFFAOYSA-N
XLogP1.59
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 135500938) is 2-(4-phenylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is O=c1[nH]c(N2CCN(c3ccccc3)CC2)nc2c1CCC2.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is GFJGWBGVLQJDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-16-14-7-4-8-15(14)18-17(19-16)21-11-9-20(10-12-21)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,18,19,22).
What are the key properties of 2-(4-phenylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-(4-phenylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 296.37 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 135500938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).