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

C16H18N4O2 — CID 3238602

IUPAC(3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C16H18N4O2/c1-22-14-5-2-4-13(12-14)15(21)19-8-10-20(11-9-19)16-17-6-3-7-18-16/h2-7,12H,8-11H2,1H3
InChIKeyIRVAHBUBYGZOCX-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.45
Rot. Bonds3

About (3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 3238602) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID3238602
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C16H18N4O2/c1-22-14-5-2-4-13(12-14)15(21)19-8-10-20(11-9-19)16-17-6-3-7-18-16/h2-7,12H,8-11H2,1H3
InChIKeyIRVAHBUBYGZOCX-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

p-(18F)MPPF
CID 5352127
Sun 8399
CID 131339
1-[3-(2-Pyrimidinyloxy)phenyl]-1-ethanone
CID 2764392
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
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-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 58539094
(3-Methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 790124
3-(Pyrimidin-2-yloxy)benzaldehyde
CID 2763336
Pyrimidine-4-carboxamide, 73
CID 44520950
Pyrimidine-4-carboxamide, 77
CID 44520952

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 3238602) is (3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is COc1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of (3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is IRVAHBUBYGZOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-22-14-5-2-4-13(12-14)15(21)19-8-10-20(11-9-19)16-17-6-3-7-18-16/h2-7,12H,8-11H2,1H3.
What are the key properties of (3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(3-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 (3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 3238602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).