1-[4-[(3,5-dichloro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-hydroxyethanone

C15H16Cl2N2O3 — CID 135128457

IUPAC1-[4-[(3,5-dichloro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCN(Cc2oc3ccc(Cl)cc3c2Cl)CC1
InChIInChI=1S/C15H16Cl2N2O3/c16-10-1-2-12-11(7-10)15(17)13(22-12)8-18-3-5-19(6-4-18)14(21)9-20/h1-2,7,20H,3-6,8-9H2
InChIKeyRZKODIDZZBPRDH-UHFFFAOYSA-N
MW343.21 g/mol
LogP2.38
Rot. Bonds3

About 1-[4-[(3,5-dichloro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-hydroxyethanone

1-[4-[(3,5-dichloro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-hydroxyethanone (PubChem CID 135128457) has the molecular formula C15H16Cl2N2O3 and a molecular weight of 343.21 g/mol. Its IUPAC name is 1-[4-[(3,5-dichloro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-[(3,5-dichloro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-hydroxyethanone
PubChem CID135128457
Molecular FormulaC15H16Cl2N2O3
Molecular Weight343.21 g/mol
Exact Mass342.05
IUPAC Name1-[4-[(3,5-dichloro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCN(Cc2oc3ccc(Cl)cc3c2Cl)CC1
InChIInChI=1S/C15H16Cl2N2O3/c16-10-1-2-12-11(7-10)15(17)13(22-12)8-18-3-5-19(6-4-18)14(21)9-20/h1-2,7,20H,3-6,8-9H2
InChIKeyRZKODIDZZBPRDH-UHFFFAOYSA-N
XLogP2.38
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(3,5-dichloro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-hydroxyethanone with MolForge

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Related Compounds

2-hydroxy-1-[4-[[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
CID 135128497
3,5-dichloro-1-benzofuran-2-carboxylic acid
CID 124505874
1-[4-[(2-chloro-4-pyridinyl)methyl]piperazin-1-yl]-2-hydroxyethanone
CID 58285187
(4-benzyl-1,4-diazepan-1-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 18157497
(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 9077186
[2-(azocan-1-yl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8541005
6-chloro-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinolin-4-one
CID 100735726
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,3,6-trichlorophenoxy)ethanone
CID 22264131
(2-morpholin-4-yl-2-oxoethyl) 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 8554196
6-chloro-3-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 38963235
(5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 71944079
1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone
CID 110411979

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,5-dichloro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[4-[(3,5-dichloro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-hydroxyethanone (CID 135128457) is 1-[4-[(3,5-dichloro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-[(3,5-dichloro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-[(3,5-dichloro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-hydroxyethanone is O=C(CO)N1CCN(Cc2oc3ccc(Cl)cc3c2Cl)CC1.
What is the InChIKey of 1-[4-[(3,5-dichloro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-hydroxyethanone?
The InChIKey is RZKODIDZZBPRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O3/c16-10-1-2-12-11(7-10)15(17)13(22-12)8-18-3-5-19(6-4-18)14(21)9-20/h1-2,7,20H,3-6,8-9H2.
What are the key properties of 1-[4-[(3,5-dichloro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-hydroxyethanone?
1-[4-[(3,5-dichloro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-hydroxyethanone has a molecular weight of 343.21 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,5-dichloro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 135128457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).