4-(3,5-dimethoxybenzoyl)morpholine-2-carbonitrile

C14H16N2O4 — CID 78945956

IUPAC4-(3,5-dimethoxybenzoyl)morpholine-2-carbonitrile
SMILESCOc1cc(OC)cc(C(=O)N2CCOC(C#N)C2)c1
InChIInChI=1S/C14H16N2O4/c1-18-11-5-10(6-12(7-11)19-2)14(17)16-3-4-20-13(8-15)9-16/h5-7,13H,3-4,9H2,1-2H3
InChIKeyHQRNJCVSQIUVKP-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.07
Rot. Bonds3

About 4-(3,5-dimethoxybenzoyl)morpholine-2-carbonitrile

4-(3,5-dimethoxybenzoyl)morpholine-2-carbonitrile (PubChem CID 78945956) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-(3,5-dimethoxybenzoyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(3,5-dimethoxybenzoyl)morpholine-2-carbonitrile
PubChem CID78945956
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-(3,5-dimethoxybenzoyl)morpholine-2-carbonitrile
SMILESCOc1cc(OC)cc(C(=O)N2CCOC(C#N)C2)c1
InChIInChI=1S/C14H16N2O4/c1-18-11-5-10(6-12(7-11)19-2)14(17)16-3-4-20-13(8-15)9-16/h5-7,13H,3-4,9H2,1-2H3
InChIKeyHQRNJCVSQIUVKP-UHFFFAOYSA-N
XLogP1.07
TPSA71.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethylbenzoyl)morpholine-2-carbonitrile
CID 78945545
(3,5-dimethoxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51710349
(3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208576
4-(3-chloro-5-methylbenzoyl)morpholine-2-carbonitrile
CID 81005565
4-(2-amino-4,5-dimethoxybenzoyl)morpholine-2-carbonitrile
CID 79662458
(3,5-dimethoxyphenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327180
4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile
CID 78954257
4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945567
4-(3,4-difluorobenzoyl)morpholine-2-carbonitrile
CID 78945954
4-[4-(difluoromethoxy)benzoyl]morpholine-2-carbonitrile
CID 78945547
3-[(2R)-2-cyclopropylmorpholine-4-carbonyl]-5-methoxybenzoic acid
CID 126438922
4-(2-aminopyridine-4-carbonyl)morpholine-2-carbonitrile
CID 79676652

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxybenzoyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(3,5-dimethoxybenzoyl)morpholine-2-carbonitrile (CID 78945956) is 4-(3,5-dimethoxybenzoyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(3,5-dimethoxybenzoyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(3,5-dimethoxybenzoyl)morpholine-2-carbonitrile is COc1cc(OC)cc(C(=O)N2CCOC(C#N)C2)c1.
What is the InChIKey of 4-(3,5-dimethoxybenzoyl)morpholine-2-carbonitrile?
The InChIKey is HQRNJCVSQIUVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-18-11-5-10(6-12(7-11)19-2)14(17)16-3-4-20-13(8-15)9-16/h5-7,13H,3-4,9H2,1-2H3.
What are the key properties of 4-(3,5-dimethoxybenzoyl)morpholine-2-carbonitrile?
4-(3,5-dimethoxybenzoyl)morpholine-2-carbonitrile has a molecular weight of 276.29 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxybenzoyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78945956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).