1-(4-methoxyphenyl)-5-(3-methylmorpholin-4-yl)pentane-1,5-dione

C17H23NO4 — CID 110309824

IUPAC1-(4-methoxyphenyl)-5-(3-methylmorpholin-4-yl)pentane-1,5-dione
SMILESCOc1ccc(C(=O)CCCC(=O)N2CCOCC2C)cc1
InChIInChI=1S/C17H23NO4/c1-13-12-22-11-10-18(13)17(20)5-3-4-16(19)14-6-8-15(21-2)9-7-14/h6-9,13H,3-5,10-12H2,1-2H3
InChIKeyABSSEHVORQFTNM-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.30
Rot. Bonds6

About 1-(4-methoxyphenyl)-5-(3-methylmorpholin-4-yl)pentane-1,5-dione

1-(4-methoxyphenyl)-5-(3-methylmorpholin-4-yl)pentane-1,5-dione (PubChem CID 110309824) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-(3-methylmorpholin-4-yl)pentane-1,5-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-(3-methylmorpholin-4-yl)pentane-1,5-dione
PubChem CID110309824
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name1-(4-methoxyphenyl)-5-(3-methylmorpholin-4-yl)pentane-1,5-dione
SMILESCOc1ccc(C(=O)CCCC(=O)N2CCOCC2C)cc1
InChIInChI=1S/C17H23NO4/c1-13-12-22-11-10-18(13)17(20)5-3-4-16(19)14-6-8-15(21-2)9-7-14/h6-9,13H,3-5,10-12H2,1-2H3
InChIKeyABSSEHVORQFTNM-UHFFFAOYSA-N
XLogP2.30
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione
CID 110309820
3-[5-(4-methoxyphenyl)furan-2-yl]-1-(3-methylmorpholin-4-yl)propan-1-one
CID 56811975
1-(2,3-dimethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione;hydrochloride
CID 120569587
4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one
CID 60842403
4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 93111675
1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione
CID 110298179
1-(3-chlorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione
CID 110631141
(3S)-4-[4-(4-methoxyphenyl)butanoyl]morpholine-3-carboxylic acid
CID 125133614
6-amino-1-[(3R)-3-methylmorpholin-4-yl]hexan-1-one
CID 106774401
2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid
CID 120687850
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione
CID 110308920

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-(3-methylmorpholin-4-yl)pentane-1,5-dione?
The IUPAC name of 1-(4-methoxyphenyl)-5-(3-methylmorpholin-4-yl)pentane-1,5-dione (CID 110309824) is 1-(4-methoxyphenyl)-5-(3-methylmorpholin-4-yl)pentane-1,5-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-(3-methylmorpholin-4-yl)pentane-1,5-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-5-(3-methylmorpholin-4-yl)pentane-1,5-dione is COc1ccc(C(=O)CCCC(=O)N2CCOCC2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-(3-methylmorpholin-4-yl)pentane-1,5-dione?
The InChIKey is ABSSEHVORQFTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-13-12-22-11-10-18(13)17(20)5-3-4-16(19)14-6-8-15(21-2)9-7-14/h6-9,13H,3-5,10-12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-5-(3-methylmorpholin-4-yl)pentane-1,5-dione?
1-(4-methoxyphenyl)-5-(3-methylmorpholin-4-yl)pentane-1,5-dione has a molecular weight of 305.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-(3-methylmorpholin-4-yl)pentane-1,5-dione is sourced from PubChem (CID 110309824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).