(5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone

C16H17ClN2O2 — CID 86853618

IUPAC(5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
SMILESO=C(c1cc2cc(Cl)ccc2o1)N1CCN(C2CC2)CC1
InChIInChI=1S/C16H17ClN2O2/c17-12-1-4-14-11(9-12)10-15(21-14)16(20)19-7-5-18(6-8-19)13-2-3-13/h1,4,9-10,13H,2-3,5-8H2
InChIKeyKGBYVEOCOTXMQP-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.01
Rot. Bonds2

About (5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone

(5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone (PubChem CID 86853618) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
PubChem CID86853618
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
SMILESO=C(c1cc2cc(Cl)ccc2o1)N1CCN(C2CC2)CC1
InChIInChI=1S/C16H17ClN2O2/c17-12-1-4-14-11(9-12)10-15(21-14)16(20)19-7-5-18(6-8-19)13-2-3-13/h1,4,9-10,13H,2-3,5-8H2
InChIKeyKGBYVEOCOTXMQP-UHFFFAOYSA-N
XLogP3.01
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 71944079
2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 31427597
(5-chloro-1-benzofuran-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606878
[(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
(5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 9182011
(5-chloro-1-benzofuran-2-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 9271230
4-(5-chloro-1-benzofuran-2-carbonyl)-N,N-diethylpiperazine-1-sulfonamide
CID 17491607
(5-chloro-1-benzofuran-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 27659688
2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151441
[5-(1-cyclobutylpiperidin-4-yl)oxy-1-benzofuran-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 68878236
2-[4-(5-chloro-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 119247536
(5-chloro-1-benzofuran-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537516

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone (CID 86853618) is (5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone is O=C(c1cc2cc(Cl)ccc2o1)N1CCN(C2CC2)CC1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone?
The InChIKey is KGBYVEOCOTXMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-12-1-4-14-11(9-12)10-15(21-14)16(20)19-7-5-18(6-8-19)13-2-3-13/h1,4,9-10,13H,2-3,5-8H2.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone?
(5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone has a molecular weight of 304.78 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone is sourced from PubChem (CID 86853618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).