(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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Related Compounds

2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51185326
azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 17439317
2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78800961
(7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2097237
(4-ethylpiperazin-1-yl)-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 42510639
(7-chloro-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51143726
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 46455033
[(3R)-3-aminopyrrolidin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 119410350
(7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110878437
(7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539471
(7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 17420074
1-(7-chloro-3-methyl-1-benzofuran-2-yl)propan-1-one
CID 139929639

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).