2-[[2-(4-phenylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid

C19H22N4O3 — CID 95927451

IUPAC2-[[2-(4-phenylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid
SMILESO=C(O)COc1nc(N2CCN(c3ccccc3)CC2)nc2c1CCC2
InChIInChI=1S/C19H22N4O3/c24-17(25)13-26-18-15-7-4-8-16(15)20-19(21-18)23-11-9-22(10-12-23)14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,24,25)
InChIKeyXCEPCWPJNXOUQT-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.76
Rot. Bonds5

About 2-[[2-(4-phenylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid

2-[[2-(4-phenylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid (PubChem CID 95927451) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[[2-(4-phenylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-phenylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid
PubChem CID95927451
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-[[2-(4-phenylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid
SMILESO=C(O)COc1nc(N2CCN(c3ccccc3)CC2)nc2c1CCC2
InChIInChI=1S/C19H22N4O3/c24-17(25)13-26-18-15-7-4-8-16(15)20-19(21-18)23-11-9-22(10-12-23)14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,24,25)
InChIKeyXCEPCWPJNXOUQT-UHFFFAOYSA-N
XLogP1.76
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(4-phenylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid with MolForge

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Related Compounds

2-[[2-(benzylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid
CID 95926488
4-(4-phenoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperazine-1-carbaldehyde
CID 88772086
2-[(4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)oxy]acetic acid
CID 118205335
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 8575126
(2S)-1-[4-(dimethylamino)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one
CID 93001972
[1-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)azetidin-3-yl] benzoate
CID 165396877
tert-butyl 4-[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]piperazine-1-carboxylate
CID 165396855
[4-(dimethylamino)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone
CID 46050696
1-(3,5-dimethylpiperidin-1-yl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]ethanone
CID 54328420
(2S,3S)-4-[(2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]butane-1,2,3-triol
CID 139764330
1-[4-[6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914844

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-phenylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid?
The IUPAC name of 2-[[2-(4-phenylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid (CID 95927451) is 2-[[2-(4-phenylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[2-(4-phenylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid?
The canonical SMILES for 2-[[2-(4-phenylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid is O=C(O)COc1nc(N2CCN(c3ccccc3)CC2)nc2c1CCC2.
What is the InChIKey of 2-[[2-(4-phenylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid?
The InChIKey is XCEPCWPJNXOUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-17(25)13-26-18-15-7-4-8-16(15)20-19(21-18)23-11-9-22(10-12-23)14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,24,25).
What are the key properties of 2-[[2-(4-phenylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid?
2-[[2-(4-phenylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid has a molecular weight of 354.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-phenylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid is sourced from PubChem (CID 95927451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).