1-[4-[4-(6-methoxypyrimidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone

C18H20N4O3 — CID 91628553

IUPAC1-[4-[4-(6-methoxypyrimidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCOc1cc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)ncn1
InChIInChI=1S/C18H20N4O3/c1-13(23)14-3-5-15(6-4-14)21-7-9-22(10-8-21)18(24)16-11-17(25-2)20-12-19-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyLRGCHUDVDHRYFM-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.65
Rot. Bonds4

About 1-[4-[4-(6-methoxypyrimidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone

1-[4-[4-(6-methoxypyrimidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 91628553) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[4-[4-(6-methoxypyrimidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(6-methoxypyrimidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone
PubChem CID91628553
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-[4-[4-(6-methoxypyrimidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCOc1cc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)ncn1
InChIInChI=1S/C18H20N4O3/c1-13(23)14-3-5-15(6-4-14)21-7-9-22(10-8-21)18(24)16-11-17(25-2)20-12-19-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyLRGCHUDVDHRYFM-UHFFFAOYSA-N
XLogP1.65
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(6-methoxypyrimidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(6-methoxypyrimidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone (CID 91628553) is 1-[4-[4-(6-methoxypyrimidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(6-methoxypyrimidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(6-methoxypyrimidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone is COc1cc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)ncn1.
What is the InChIKey of 1-[4-[4-(6-methoxypyrimidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is LRGCHUDVDHRYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13(23)14-3-5-15(6-4-14)21-7-9-22(10-8-21)18(24)16-11-17(25-2)20-12-19-16/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-[4-[4-(6-methoxypyrimidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(6-methoxypyrimidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 340.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(6-methoxypyrimidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 91628553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).