[1-(4-morpholin-4-ylphenyl)-3-oxopropan-2-yl] formate

C14H17NO4 — CID 145192028

IUPAC[1-(4-morpholin-4-ylphenyl)-3-oxopropan-2-yl] formate
SMILESO=COC(C=O)Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H17NO4/c16-10-14(19-11-17)9-12-1-3-13(4-2-12)15-5-7-18-8-6-15/h1-4,10-11,14H,5-9H2
InChIKeyGEROCMWNXVNBIQ-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.81
Rot. Bonds6

About [1-(4-morpholin-4-ylphenyl)-3-oxopropan-2-yl] formate

[1-(4-morpholin-4-ylphenyl)-3-oxopropan-2-yl] formate (PubChem CID 145192028) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is [1-(4-morpholin-4-ylphenyl)-3-oxopropan-2-yl] formate.

Molecular Properties

Compound Name[1-(4-morpholin-4-ylphenyl)-3-oxopropan-2-yl] formate
PubChem CID145192028
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name[1-(4-morpholin-4-ylphenyl)-3-oxopropan-2-yl] formate
SMILESO=COC(C=O)Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H17NO4/c16-10-14(19-11-17)9-12-1-3-13(4-2-12)15-5-7-18-8-6-15/h1-4,10-11,14H,5-9H2
InChIKeyGEROCMWNXVNBIQ-UHFFFAOYSA-N
XLogP0.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-2-(4-morpholin-4-ylphenyl)ethanol
CID 141309869
4-(4-prop-2-enylphenyl)morpholine
CID 70631563
(3R)-3-amino-4-(4-morpholin-4-ylphenyl)butanoic acid
CID 131873298
4-(4-ethylphenyl)morpholine
CID 20576442
(4-morpholin-4-ylphenyl)methanol
CID 2776456
2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)-5-phenylpentanal
CID 87659120
methyl (2S)-2-acetamido-3-(4-morpholin-4-ylphenyl)propanoate
CID 75176217
2-(4-morpholin-4-ylphenyl)ethanamine
CID 23009596
4-(4-benzylphenyl)morpholine
CID 11514364
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
2-(dimethylamino)-2-methyl-3-(4-morpholin-4-ylphenyl)propanal
CID 87090040
2,6-bis(dimethylamino)-3,5-bis(4-morpholin-4-ylphenyl)-1,7-diphenylheptan-4-one
CID 175073819

Frequently Asked Questions

What is the IUPAC name of [1-(4-morpholin-4-ylphenyl)-3-oxopropan-2-yl] formate?
The IUPAC name of [1-(4-morpholin-4-ylphenyl)-3-oxopropan-2-yl] formate (CID 145192028) is [1-(4-morpholin-4-ylphenyl)-3-oxopropan-2-yl] formate.
What is the SMILES notation for [1-(4-morpholin-4-ylphenyl)-3-oxopropan-2-yl] formate?
The canonical SMILES for [1-(4-morpholin-4-ylphenyl)-3-oxopropan-2-yl] formate is O=COC(C=O)Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of [1-(4-morpholin-4-ylphenyl)-3-oxopropan-2-yl] formate?
The InChIKey is GEROCMWNXVNBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-10-14(19-11-17)9-12-1-3-13(4-2-12)15-5-7-18-8-6-15/h1-4,10-11,14H,5-9H2.
What are the key properties of [1-(4-morpholin-4-ylphenyl)-3-oxopropan-2-yl] formate?
[1-(4-morpholin-4-ylphenyl)-3-oxopropan-2-yl] formate has a molecular weight of 263.29 g/mol, XLogP of 0.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-morpholin-4-ylphenyl)-3-oxopropan-2-yl] formate is sourced from PubChem (CID 145192028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).