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

C16H18N4O2 — CID 2167052

IUPAC(4-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C16H18N4O2/c1-22-14-5-3-13(4-6-14)15(21)19-9-11-20(12-10-19)16-17-7-2-8-18-16/h2-8H,9-12H2,1H3
InChIKeyINSVUPVFHBUQQG-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.45
Rot. Bonds3

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

(4-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 2167052) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (4-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID2167052
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(4-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C16H18N4O2/c1-22-14-5-3-13(4-6-14)15(21)19-9-11-20(12-10-19)16-17-7-2-8-18-16/h2-8H,9-12H2,1H3
InChIKeyINSVUPVFHBUQQG-UHFFFAOYSA-N
XLogP1.45
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 5457
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CID 5352127
Sun 8399
CID 131339
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
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4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
4-methoxy-N-pyridin-2-ylbenzamide
CID 821599
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
3-Chloro-4-[4-(4-pyridin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
CID 15490956
(3-Methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 790124

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 2167052) is (4-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is COc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is INSVUPVFHBUQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-22-14-5-3-13(4-6-14)15(21)19-9-11-20(12-10-19)16-17-7-2-8-18-16/h2-8H,9-12H2,1H3.
What are the key properties of (4-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(4-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 298.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 2167052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).