4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-3,3-dimethylpiperazin-2-one

C20H24N2O4 — CID 126809780

IUPAC4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-3,3-dimethylpiperazin-2-one
SMILESCc1ccc(OCc2ccc(C(=O)N3CCNC(=O)C3(C)C)o2)c(C)c1
InChIInChI=1S/C20H24N2O4/c1-13-5-7-16(14(2)11-13)25-12-15-6-8-17(26-15)18(23)22-10-9-21-19(24)20(22,3)4/h5-8,11H,9-10,12H2,1-4H3,(H,21,24)
InChIKeyYUSFHYHBCOPPNP-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.83
Rot. Bonds4

About 4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-3,3-dimethylpiperazin-2-one

4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-3,3-dimethylpiperazin-2-one (PubChem CID 126809780) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-3,3-dimethylpiperazin-2-one
PubChem CID126809780
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-3,3-dimethylpiperazin-2-one
SMILESCc1ccc(OCc2ccc(C(=O)N3CCNC(=O)C3(C)C)o2)c(C)c1
InChIInChI=1S/C20H24N2O4/c1-13-5-7-16(14(2)11-13)25-12-15-6-8-17(26-15)18(23)22-10-9-21-19(24)20(22,3)4/h5-8,11H,9-10,12H2,1-4H3,(H,21,24)
InChIKeyYUSFHYHBCOPPNP-UHFFFAOYSA-N
XLogP2.83
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,4-dimethylphenoxy)acetyl]-3,3-dimethylpiperazin-2-one
CID 63362376
4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 126768338
3,3-dimethyl-4-(5-methyl-1-benzofuran-2-carbonyl)piperazin-2-one
CID 63608278
(3R)-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 129415278
1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-2-carboxylic acid
CID 91644849
2,3-dihydro-1,4-benzoxazin-4-yl-[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanone
CID 60567622
[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651643
[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492924
5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide
CID 120600343
N-cyclopropyl-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxamide
CID 49351081
azepan-1-yl-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone
CID 35524316
5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride
CID 120600342

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-3,3-dimethylpiperazin-2-one (CID 126809780) is 4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-3,3-dimethylpiperazin-2-one is Cc1ccc(OCc2ccc(C(=O)N3CCNC(=O)C3(C)C)o2)c(C)c1.
What is the InChIKey of 4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is YUSFHYHBCOPPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13-5-7-16(14(2)11-13)25-12-15-6-8-17(26-15)18(23)22-10-9-21-19(24)20(22,3)4/h5-8,11H,9-10,12H2,1-4H3,(H,21,24).
What are the key properties of 4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-3,3-dimethylpiperazin-2-one?
4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 356.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 126809780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).