6-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C28H35N5O2 — CID 54439021

IUPAC6-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1ccccc1N1CCN(CCCn2cnc3c(c2=O)CC(Cc2ccccc2)NC3)CC1
InChIInChI=1S/C28H35N5O2/c1-35-27-11-6-5-10-26(27)32-16-14-31(15-17-32)12-7-13-33-21-30-25-20-29-23(19-24(25)28(33)34)18-22-8-3-2-4-9-22/h2-6,8-11,21,23,29H,7,12-20H2,1H3
InChIKeyWMTKYCXDAWSDBX-UHFFFAOYSA-N
MW473.62 g/mol
LogP2.72
Rot. Bonds8

About 6-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

6-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 54439021) has the molecular formula C28H35N5O2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 6-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID54439021
Molecular FormulaC28H35N5O2
Molecular Weight473.62 g/mol
Exact Mass473.28
IUPAC Name6-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1ccccc1N1CCN(CCCn2cnc3c(c2=O)CC(Cc2ccccc2)NC3)CC1
InChIInChI=1S/C28H35N5O2/c1-35-27-11-6-5-10-26(27)32-16-14-31(15-17-32)12-7-13-33-21-30-25-20-29-23(19-24(25)28(33)34)18-22-8-3-2-4-9-22/h2-6,8-11,21,23,29H,7,12-20H2,1H3
InChIKeyWMTKYCXDAWSDBX-UHFFFAOYSA-N
XLogP2.72
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 54439021) is 6-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COc1ccccc1N1CCN(CCCn2cnc3c(c2=O)CC(Cc2ccccc2)NC3)CC1.
What is the InChIKey of 6-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is WMTKYCXDAWSDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2/c1-35-27-11-6-5-10-26(27)32-16-14-31(15-17-32)12-7-13-33-21-30-25-20-29-23(19-24(25)28(33)34)18-22-8-3-2-4-9-22/h2-6,8-11,21,23,29H,7,12-20H2,1H3.
What are the key properties of 6-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
6-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 473.62 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 54439021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).