1-[4-[4-[(2-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]piperazin-1-yl]ethanone

C21H22N4O3 — CID 142553564

IUPAC1-[4-[4-[(2-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]piperazin-1-yl]ethanone
SMILESCOc1cc(Oc2ccc(N3CCN(C(C)=O)CC3)cc2)c2cnccc2n1
InChIInChI=1S/C21H22N4O3/c1-15(26)24-9-11-25(12-10-24)16-3-5-17(6-4-16)28-20-13-21(27-2)23-19-7-8-22-14-18(19)20/h3-8,13-14H,9-12H2,1-2H3
InChIKeyOVBNODUHLULOMH-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.10
Rot. Bonds4

About 1-[4-[4-[(2-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]piperazin-1-yl]ethanone

1-[4-[4-[(2-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]piperazin-1-yl]ethanone (PubChem CID 142553564) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[4-[4-[(2-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(2-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]piperazin-1-yl]ethanone
PubChem CID142553564
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-[4-[4-[(2-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]piperazin-1-yl]ethanone
SMILESCOc1cc(Oc2ccc(N3CCN(C(C)=O)CC3)cc2)c2cnccc2n1
InChIInChI=1S/C21H22N4O3/c1-15(26)24-9-11-25(12-10-24)16-3-5-17(6-4-16)28-20-13-21(27-2)23-19-7-8-22-14-18(19)20/h3-8,13-14H,9-12H2,1-2H3
InChIKeyOVBNODUHLULOMH-UHFFFAOYSA-N
XLogP3.10
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-[(2-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[4-[[2-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]phenyl]-1,4-diazepan-1-yl]ethanone
CID 138533977
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone
CID 173297247
(4,6-dimethoxypyrimidin-2-yl)-(4-pyridin-4-yl-1,4-diazepan-1-yl)methanone
CID 154781016
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone
CID 17375510
1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone
CID 177077574
1-[4-[4-[[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]amino]-3-phenoxyphenyl]piperazin-1-yl]ethanone
CID 72546961
(2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228487
1-(4-acetylpiperazin-1-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109018165
1-[4-[4-(4-chloro-2-nitrophenoxy)phenyl]piperazin-1-yl]ethanone
CID 9112357
[(1S)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 99932161
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one
CID 110682116

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(2-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[(2-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]piperazin-1-yl]ethanone (CID 142553564) is 1-[4-[4-[(2-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[(2-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[(2-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]piperazin-1-yl]ethanone is COc1cc(Oc2ccc(N3CCN(C(C)=O)CC3)cc2)c2cnccc2n1.
What is the InChIKey of 1-[4-[4-[(2-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]piperazin-1-yl]ethanone?
The InChIKey is OVBNODUHLULOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-15(26)24-9-11-25(12-10-24)16-3-5-17(6-4-16)28-20-13-21(27-2)23-19-7-8-22-14-18(19)20/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 1-[4-[4-[(2-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]piperazin-1-yl]ethanone?
1-[4-[4-[(2-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]piperazin-1-yl]ethanone has a molecular weight of 378.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(2-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 142553564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).