(1,4-dimethylpiperazin-2-yl)-(5-methyl-1-benzofuran-2-yl)methanone

C16H20N2O2 — CID 114725716

IUPAC(1,4-dimethylpiperazin-2-yl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)C3CN(C)CCN3C)cc2c1
InChIInChI=1S/C16H20N2O2/c1-11-4-5-14-12(8-11)9-15(20-14)16(19)13-10-17(2)6-7-18(13)3/h4-5,8-9,13H,6-7,10H2,1-3H3
InChIKeyWYTZNNPFZVDOLG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.17
Rot. Bonds2

About (1,4-dimethylpiperazin-2-yl)-(5-methyl-1-benzofuran-2-yl)methanone

(1,4-dimethylpiperazin-2-yl)-(5-methyl-1-benzofuran-2-yl)methanone (PubChem CID 114725716) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (1,4-dimethylpiperazin-2-yl)-(5-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(1,4-dimethylpiperazin-2-yl)-(5-methyl-1-benzofuran-2-yl)methanone
PubChem CID114725716
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(1,4-dimethylpiperazin-2-yl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)C3CN(C)CCN3C)cc2c1
InChIInChI=1S/C16H20N2O2/c1-11-4-5-14-12(8-11)9-15(20-14)16(19)13-10-17(2)6-7-18(13)3/h4-5,8-9,13H,6-7,10H2,1-3H3
InChIKeyWYTZNNPFZVDOLG-UHFFFAOYSA-N
XLogP2.17
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-3-yl-(5-methyl-1-benzofuran-2-yl)methanone
CID 114736841
(3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105105126
[4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 114737007
(4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725432
5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 55959743
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one
CID 55012658
1,4-dithian-2-yl-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725755
[2-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 114736859
methyl 1-(5-methyl-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxylate
CID 61219649
(2-amino-5-methyl-3-pyridinyl)-(1,4-dimethylpiperazin-2-yl)methanone
CID 79658548

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpiperazin-2-yl)-(5-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (1,4-dimethylpiperazin-2-yl)-(5-methyl-1-benzofuran-2-yl)methanone (CID 114725716) is (1,4-dimethylpiperazin-2-yl)-(5-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (1,4-dimethylpiperazin-2-yl)-(5-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (1,4-dimethylpiperazin-2-yl)-(5-methyl-1-benzofuran-2-yl)methanone is Cc1ccc2oc(C(=O)C3CN(C)CCN3C)cc2c1.
What is the InChIKey of (1,4-dimethylpiperazin-2-yl)-(5-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is WYTZNNPFZVDOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-4-5-14-12(8-11)9-15(20-14)16(19)13-10-17(2)6-7-18(13)3/h4-5,8-9,13H,6-7,10H2,1-3H3.
What are the key properties of (1,4-dimethylpiperazin-2-yl)-(5-methyl-1-benzofuran-2-yl)methanone?
(1,4-dimethylpiperazin-2-yl)-(5-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpiperazin-2-yl)-(5-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 114725716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).