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

C18H22N4O — CID 135460542

IUPAC2-(4-benzylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCN(Cc3ccccc3)CC2)nc2c1CCC2
InChIInChI=1S/C18H22N4O/c23-17-15-7-4-8-16(15)19-18(20-17)22-11-9-21(10-12-22)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,19,20,23)
InChIKeyQWYJRVXAVUUNSI-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.58
Rot. Bonds3

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

2-(4-benzylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 135460542) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID135460542
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-(4-benzylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCN(Cc3ccccc3)CC2)nc2c1CCC2
InChIInChI=1S/C18H22N4O/c23-17-15-7-4-8-16(15)19-18(20-17)22-11-9-21(10-12-22)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,19,20,23)
InChIKeyQWYJRVXAVUUNSI-UHFFFAOYSA-N
XLogP1.58
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 135460542) is 2-(4-benzylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is O=c1[nH]c(N2CCN(Cc3ccccc3)CC2)nc2c1CCC2.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is QWYJRVXAVUUNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-17-15-7-4-8-16(15)19-18(20-17)22-11-9-21(10-12-22)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,19,20,23).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-(4-benzylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 310.40 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 135460542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).