2-[2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone

C22H29N5O4 — CID 131938428

IUPAC2-[2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCOc1cc(CN2CCN(c3ncccn3)CC2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C22H29N5O4/c1-29-20-15-18(3-4-19(20)31-17-21(28)26-11-13-30-14-12-26)16-25-7-9-27(10-8-25)22-23-5-2-6-24-22/h2-6,15H,7-14,16-17H2,1H3
InChIKeyYAYOHEZCFAWSNB-UHFFFAOYSA-N
MW427.51 g/mol
LogP1.04
Rot. Bonds7

About 2-[2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone

2-[2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 131938428) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID131938428
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC Name2-[2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCOc1cc(CN2CCN(c3ncccn3)CC2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C22H29N5O4/c1-29-20-15-18(3-4-19(20)31-17-21(28)26-11-13-30-14-12-26)16-25-7-9-27(10-8-25)22-23-5-2-6-24-22/h2-6,15H,7-14,16-17H2,1H3
InChIKeyYAYOHEZCFAWSNB-UHFFFAOYSA-N
XLogP1.04
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[2-methoxy-4-[(3-pyridin-2-ylazetidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131905909
2-[2-methoxy-4-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131943183
2-[2-methoxy-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131923008
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 9201050
2-[4-[(iodomethylamino)methyl]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 126537590
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
2-[2-methoxy-4-[(pyridazin-3-ylamino)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 86806885
bis(2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol);hydrate;tetrahydrochloride
CID 23618065
6-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 131948166
2-[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 3756796
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
2-(2-methoxyphenoxy)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073699

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone (CID 131938428) is 2-[2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone is COc1cc(CN2CCN(c3ncccn3)CC2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 2-[2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is YAYOHEZCFAWSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-29-20-15-18(3-4-19(20)31-17-21(28)26-11-13-30-14-12-26)16-25-7-9-27(10-8-25)22-23-5-2-6-24-22/h2-6,15H,7-14,16-17H2,1H3.
What are the key properties of 2-[2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone?
2-[2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 427.51 g/mol, XLogP of 1.04, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 131938428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).