(4-ethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C17H20N4O2 — CID 903926

IUPAC(4-ethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C17H20N4O2/c1-2-23-15-6-4-14(5-7-15)16(22)20-10-12-21(13-11-20)17-18-8-3-9-19-17/h3-9H,2,10-13H2,1H3
InChIKeyRJIALHDAGNCUBB-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.84
Rot. Bonds4

About (4-ethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(4-ethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 903926) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID903926
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(4-ethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C17H20N4O2/c1-2-23-15-6-4-14(5-7-15)16(22)20-10-12-21(13-11-20)17-18-8-3-9-19-17/h3-9H,2,10-13H2,1H3
InChIKeyRJIALHDAGNCUBB-UHFFFAOYSA-N
XLogP1.84
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 5457
Thonzylamine Hydrochloride
CID 6136
p-(18F)MPPF
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Sun 8399
CID 131339
(+)-trans-4-(2-(2-(1-(5-chloropyrimidin-2-yl)piperidin-4-yl)cyclopropyl)ethoxy)-N-cyclopropyl-2-fluorobenzamide
CID 54587813
(3-Methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 790124
4-(Pyrimidin-2-yloxy)benzaldehyde
CID 2763562
4-ethoxy-N-(4-methylpyridin-2-yl)benzamide
CID 803159
Pyrimidine-4-carboxamide, 77
CID 44520952
Pyrimidine-4-carboxamide, 81
CID 44520954
Pyrimidine-4-carboxamide, 78
CID 44520965
Pyrimidine-4-carboxamide, 82
CID 44520967

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-ethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 903926) is (4-ethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-ethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-ethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CCOc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is RJIALHDAGNCUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-23-15-6-4-14(5-7-15)16(22)20-10-12-21(13-11-20)17-18-8-3-9-19-17/h3-9H,2,10-13H2,1H3.
What are the key properties of (4-ethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(4-ethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 312.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 903926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).