2-(1,4-dimethylpiperazin-2-yl)-N-(furan-3-ylmethyl)acetamide

C13H21N3O2 — CID 91829648

IUPAC2-(1,4-dimethylpiperazin-2-yl)-N-(furan-3-ylmethyl)acetamide
SMILESCN1CCN(C)C(CC(=O)NCc2ccoc2)C1
InChIInChI=1S/C13H21N3O2/c1-15-4-5-16(2)12(9-15)7-13(17)14-8-11-3-6-18-10-11/h3,6,10,12H,4-5,7-9H2,1-2H3,(H,14,17)
InChIKeyVEYGWKWVJXSAQO-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.53
Rot. Bonds4

About 2-(1,4-dimethylpiperazin-2-yl)-N-(furan-3-ylmethyl)acetamide

2-(1,4-dimethylpiperazin-2-yl)-N-(furan-3-ylmethyl)acetamide (PubChem CID 91829648) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-N-(furan-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-N-(furan-3-ylmethyl)acetamide
PubChem CID91829648
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-N-(furan-3-ylmethyl)acetamide
SMILESCN1CCN(C)C(CC(=O)NCc2ccoc2)C1
InChIInChI=1S/C13H21N3O2/c1-15-4-5-16(2)12(9-15)7-13(17)14-8-11-3-6-18-10-11/h3,6,10,12H,4-5,7-9H2,1-2H3,(H,14,17)
InChIKeyVEYGWKWVJXSAQO-UHFFFAOYSA-N
XLogP0.53
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-dimethylpiperazin-2-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 91837266
1-(1,4-dimethylpiperazin-2-yl)-4-phenylbutan-2-one
CID 115414666
5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63899108
(3S,4S)-N-(furan-3-ylmethyl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120963466
2-(4-fluorophenyl)-N-(furan-3-ylmethyl)acetamide
CID 47285310
N-(furan-3-ylmethyl)-2-thiophen-2-ylacetamide
CID 47350839
2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide
CID 28809319
2-[furan-3-ylmethylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide
CID 154753725
2-(cyclopentylamino)-N-(furan-3-ylmethyl)acetamide
CID 115746985
N-[(4-methylphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 110850894
1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea
CID 129478739
2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 96576167

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-N-(furan-3-ylmethyl)acetamide?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-N-(furan-3-ylmethyl)acetamide (CID 91829648) is 2-(1,4-dimethylpiperazin-2-yl)-N-(furan-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-N-(furan-3-ylmethyl)acetamide?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-N-(furan-3-ylmethyl)acetamide is CN1CCN(C)C(CC(=O)NCc2ccoc2)C1.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-N-(furan-3-ylmethyl)acetamide?
The InChIKey is VEYGWKWVJXSAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-15-4-5-16(2)12(9-15)7-13(17)14-8-11-3-6-18-10-11/h3,6,10,12H,4-5,7-9H2,1-2H3,(H,14,17).
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-N-(furan-3-ylmethyl)acetamide?
2-(1,4-dimethylpiperazin-2-yl)-N-(furan-3-ylmethyl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-N-(furan-3-ylmethyl)acetamide is sourced from PubChem (CID 91829648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).