(2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone

C21H19ClN2O3 — CID 17482867

IUPAC(2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)oc2ccccc12
InChIInChI=1S/C21H19ClN2O3/c1-14-15-6-3-5-9-18(15)27-19(14)21(26)24-12-10-23(11-13-24)20(25)16-7-2-4-8-17(16)22/h2-9H,10-13H2,1H3
InChIKeyWJKCYGBKNRDMIO-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.99
Rot. Bonds2

About (2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone

(2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 17482867) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
PubChem CID17482867
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Name(2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)oc2ccccc12
InChIInChI=1S/C21H19ClN2O3/c1-14-15-6-3-5-9-18(15)27-19(14)21(26)24-12-10-23(11-13-24)20(25)16-7-2-4-8-17(16)22/h2-9H,10-13H2,1H3
InChIKeyWJKCYGBKNRDMIO-UHFFFAOYSA-N
XLogP3.99
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 24686604
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 27757613
(3-methyl-1-benzofuran-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856061
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 9092800
[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 47067179
(3-methyl-1-benzofuran-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 9120102
2-chloro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 17462897
(4-hydroxy-4-methylazepan-1-yl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 107406469
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 7661856
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 17439317

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone (CID 17482867) is (2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone is Cc1c(C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)oc2ccccc12.
What is the InChIKey of (2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is WJKCYGBKNRDMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-14-15-6-3-5-9-18(15)27-19(14)21(26)24-12-10-23(11-13-24)20(25)16-7-2-4-8-17(16)22/h2-9H,10-13H2,1H3.
What are the key properties of (2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone?
(2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 382.85 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17482867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).