(7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone

C17H21ClN2O2 — CID 9440318

IUPAC(7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2oc3c(Cl)cccc3c2C)CC1
InChIInChI=1S/C17H21ClN2O2/c1-3-7-19-8-10-20(11-9-19)17(21)15-12(2)13-5-4-6-14(18)16(13)22-15/h4-6H,3,7-11H2,1-2H3
InChIKeyCOEXHAOWKMOWIK-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.56
Rot. Bonds3

About (7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone

(7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone (PubChem CID 9440318) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is (7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone
PubChem CID9440318
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name(7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2oc3c(Cl)cccc3c2C)CC1
InChIInChI=1S/C17H21ClN2O2/c1-3-7-19-8-10-20(11-9-19)17(21)15-12(2)13-5-4-6-14(18)16(13)22-15/h4-6H,3,7-11H2,1-2H3
InChIKeyCOEXHAOWKMOWIK-UHFFFAOYSA-N
XLogP3.56
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of (7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone (CID 9440318) is (7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for (7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for (7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2oc3c(Cl)cccc3c2C)CC1.
What is the InChIKey of (7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone?
The InChIKey is COEXHAOWKMOWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-3-7-19-8-10-20(11-9-19)17(21)15-12(2)13-5-4-6-14(18)16(13)22-15/h4-6H,3,7-11H2,1-2H3.
What are the key properties of (7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone?
(7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone has a molecular weight of 320.82 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 9440318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).