2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide

C25H33N5O3 — CID 24794207

IUPAC2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide
SMILESCCOc1ccc(CN2CCNC(=O)C2CC(=O)NCCc2nc(C)c3c(n2)CCC3)cc1
InChIInChI=1S/C25H33N5O3/c1-3-33-19-9-7-18(8-10-19)16-30-14-13-27-25(32)22(30)15-24(31)26-12-11-23-28-17(2)20-5-4-6-21(20)29-23/h7-10,22H,3-6,11-16H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyHVVGLTOJUXKOGN-UHFFFAOYSA-N
MW451.57 g/mol
LogP1.72
Rot. Bonds9

About 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide

2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide (PubChem CID 24794207) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide
PubChem CID24794207
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide
SMILESCCOc1ccc(CN2CCNC(=O)C2CC(=O)NCCc2nc(C)c3c(n2)CCC3)cc1
InChIInChI=1S/C25H33N5O3/c1-3-33-19-9-7-18(8-10-19)16-30-14-13-27-25(32)22(30)15-24(31)26-12-11-23-28-17(2)20-5-4-6-21(20)29-23/h7-10,22H,3-6,11-16H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyHVVGLTOJUXKOGN-UHFFFAOYSA-N
XLogP1.72
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide?
The IUPAC name of 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide (CID 24794207) is 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide is CCOc1ccc(CN2CCNC(=O)C2CC(=O)NCCc2nc(C)c3c(n2)CCC3)cc1.
What is the InChIKey of 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide?
The InChIKey is HVVGLTOJUXKOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-3-33-19-9-7-18(8-10-19)16-30-14-13-27-25(32)22(30)15-24(31)26-12-11-23-28-17(2)20-5-4-6-21(20)29-23/h7-10,22H,3-6,11-16H2,1-2H3,(H,26,31)(H,27,32).
What are the key properties of 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide?
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide has a molecular weight of 451.57 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide is sourced from PubChem (CID 24794207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).