1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone

C16H18N2O3 — CID 24686604

IUPAC1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2oc3ccccc3c2C)CC1
InChIInChI=1S/C16H18N2O3/c1-11-13-5-3-4-6-14(13)21-15(11)16(20)18-9-7-17(8-10-18)12(2)19/h3-6H,7-10H2,1-2H3
InChIKeyMALGIWNOYMDAKR-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.05
Rot. Bonds1

About 1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone

1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 24686604) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID24686604
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2oc3ccccc3c2C)CC1
InChIInChI=1S/C16H18N2O3/c1-11-13-5-3-4-6-14(13)21-15(11)16(20)18-9-7-17(8-10-18)12(2)19/h3-6H,7-10H2,1-2H3
InChIKeyMALGIWNOYMDAKR-UHFFFAOYSA-N
XLogP2.05
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
(2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 17482867
1-[(3R)-3-methyl-4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 154870837
(3-methyl-1-benzofuran-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 9120102
(3-methyl-1-benzofuran-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856061
(4-hydroxy-4-methylazepan-1-yl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 107406469
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 27757613
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 888224
[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 47067179
[4-[(S)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 92818779
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 9092800

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone (CID 24686604) is 1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2oc3ccccc3c2C)CC1.
What is the InChIKey of 1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is MALGIWNOYMDAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-13-5-3-4-6-14(13)21-15(11)16(20)18-9-7-17(8-10-18)12(2)19/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone?
1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 286.33 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 24686604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).