3,4-dimethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide

C19H23N5O4 — CID 2548235

IUPAC3,4-dimethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)N2CCN(c3ncccn3)CC2)cc1OC
InChIInChI=1S/C19H23N5O4/c1-27-15-5-4-14(12-16(15)28-2)18(26)22-13-17(25)23-8-10-24(11-9-23)19-20-6-3-7-21-19/h3-7,12H,8-11,13H2,1-2H3,(H,22,26)
InChIKeyGEMUMOJCPPJACL-UHFFFAOYSA-N
MW385.42 g/mol
LogP0.57
Rot. Bonds6

About 3,4-dimethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide

3,4-dimethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide (PubChem CID 2548235) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
PubChem CID2548235
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name3,4-dimethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)N2CCN(c3ncccn3)CC2)cc1OC
InChIInChI=1S/C19H23N5O4/c1-27-15-5-4-14(12-16(15)28-2)18(26)22-13-17(25)23-8-10-24(11-9-23)19-20-6-3-7-21-19/h3-7,12H,8-11,13H2,1-2H3,(H,22,26)
InChIKeyGEMUMOJCPPJACL-UHFFFAOYSA-N
XLogP0.57
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide (CID 2548235) is 3,4-dimethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide is COc1ccc(C(=O)NCC(=O)N2CCN(c3ncccn3)CC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is GEMUMOJCPPJACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-27-15-5-4-14(12-16(15)28-2)18(26)22-13-17(25)23-8-10-24(11-9-23)19-20-6-3-7-21-19/h3-7,12H,8-11,13H2,1-2H3,(H,22,26).
What are the key properties of 3,4-dimethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
3,4-dimethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 385.42 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 2548235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).