1-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one

C16H24N2O4 — CID 78852997

IUPAC1-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOCc1ccc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)o1
InChIInChI=1S/C16H24N2O4/c1-16(2,3)15(20)18-9-7-17(8-10-18)14(19)13-6-5-12(22-13)11-21-4/h5-6H,7-11H2,1-4H3
InChIKeyGOPQFBCEQKMGEB-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.76
Rot. Bonds3

About 1-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 78852997) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID78852997
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name1-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOCc1ccc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)o1
InChIInChI=1S/C16H24N2O4/c1-16(2,3)15(20)18-9-7-17(8-10-18)14(19)13-6-5-12(22-13)11-21-4/h5-6H,7-11H2,1-4H3
InChIKeyGOPQFBCEQKMGEB-UHFFFAOYSA-N
XLogP1.76
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate
CID 78833666
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 39492865
[5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 72871979
2-[4-[5-(methoxymethyl)furan-2-carbonyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78858877
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 78829498
6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175089
(2R)-6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129467286
methyl 2-(4-chlorophenyl)-2-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]acetate
CID 78866443
[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 78882516
[5-(methoxymethyl)furan-2-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 78882361
1-[3-fluoro-4-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 86912160
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone;hydrochloride
CID 120658032

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 78852997) is 1-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one is COCc1ccc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)o1.
What is the InChIKey of 1-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is GOPQFBCEQKMGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-16(2,3)15(20)18-9-7-17(8-10-18)14(19)13-6-5-12(22-13)11-21-4/h5-6H,7-11H2,1-4H3.
What are the key properties of 1-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 308.38 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 78852997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).