(5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C15H17ClN2O3 — CID 71944079

IUPAC(5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2cc(Cl)ccc2o1)N1CCN(CCO)CC1
InChIInChI=1S/C15H17ClN2O3/c16-12-1-2-13-11(9-12)10-14(21-13)15(20)18-5-3-17(4-6-18)7-8-19/h1-2,9-10,19H,3-8H2
InChIKeyDRXGYYZOEHPVQZ-UHFFFAOYSA-N
MW308.76 g/mol
LogP1.84
Rot. Bonds3

About (5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

(5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 71944079) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID71944079
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name(5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2cc(Cl)ccc2o1)N1CCN(CCO)CC1
InChIInChI=1S/C15H17ClN2O3/c16-12-1-2-13-11(9-12)10-14(21-13)15(20)18-5-3-17(4-6-18)7-8-19/h1-2,9-10,19H,3-8H2
InChIKeyDRXGYYZOEHPVQZ-UHFFFAOYSA-N
XLogP1.84
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606878
(5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 9182011
(5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 86853618
2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 31427597
2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151441
4-(5-chloro-1-benzofuran-2-carbonyl)-N,N-diethylpiperazine-1-sulfonamide
CID 17491607
(5-chloro-1-benzofuran-2-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 9271230
(5-chloro-1-benzofuran-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 27659688
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-chloro-1-benzofuran-2-yl)methanone
CID 126790453
1-benzofuran-2-yl-[4-(2-chloroethyl)-1,4-diazepan-1-yl]methanone
CID 63394374
[4-[(5-chloro-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 24737161
2-(5-chloro-1-benzofuran-2-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 123198555

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 71944079) is (5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is O=C(c1cc2cc(Cl)ccc2o1)N1CCN(CCO)CC1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is DRXGYYZOEHPVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c16-12-1-2-13-11(9-12)10-14(21-13)15(20)18-5-3-17(4-6-18)7-8-19/h1-2,9-10,19H,3-8H2.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 308.76 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71944079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).