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

C18H22N4O2 — CID 135445400

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCOc1cccc(N2CCN(c3nc4c(c(=O)[nH]3)CCC4)CC2)c1
InChIInChI=1S/C18H22N4O2/c1-24-14-5-2-4-13(12-14)21-8-10-22(11-9-21)18-19-16-7-3-6-15(16)17(23)20-18/h2,4-5,12H,3,6-11H2,1H3,(H,19,20,23)
InChIKeyKUBMYBIBXFLPJZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.59
Rot. Bonds3

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

2-[4-(3-methoxyphenyl)piperazin-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 135445400) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID135445400
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCOc1cccc(N2CCN(c3nc4c(c(=O)[nH]3)CCC4)CC2)c1
InChIInChI=1S/C18H22N4O2/c1-24-14-5-2-4-13(12-14)21-8-10-22(11-9-21)18-19-16-7-3-6-15(16)17(23)20-18/h2,4-5,12H,3,6-11H2,1H3,(H,19,20,23)
InChIKeyKUBMYBIBXFLPJZ-UHFFFAOYSA-N
XLogP1.59
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-Methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4-ol
CID 135652704
2-[4-(3-Methoxyphenyl)piperazinyl]-3,5,6,7,8-pentahydroquinazolin-4-one
CID 135644892
2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-methyl-5-propylpyrimidin-4(3H)-one
CID 135491346
5-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one
CID 135491350
(5E)-1-(3-methoxyphenyl)-5-({[2-(piperazin-1-yl)ethyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
CID 1877351
5-ethyl-2-[4-(4-methoxyphenyl)-1-piperazinyl]-6-methyl-4(3H)-pyrimidinone
CID 135491367
2-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 135417609
2-[4-(3-Methoxyphenyl)piperazin-1-yl]-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one
CID 155549220
2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one
CID 135445398
2-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
CID 135445416
2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(2-methylphenyl)pyrimidin-4(3H)-one
CID 135445432
2-[4-(4-Methoxyphenyl)piperazin-1-yl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 155518640

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 135445400) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is COc1cccc(N2CCN(c3nc4c(c(=O)[nH]3)CCC4)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is KUBMYBIBXFLPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-14-5-2-4-13(12-14)21-8-10-22(11-9-21)18-19-16-7-3-6-15(16)17(23)20-18/h2,4-5,12H,3,6-11H2,1H3,(H,19,20,23).
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 326.40 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 135445400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).