2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone

C20H24ClN3O4 — CID 78800961

IUPAC2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1c(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)oc2c(Cl)cccc12
InChIInChI=1S/C20H24ClN3O4/c1-14-15-3-2-4-16(21)19(15)28-18(14)20(26)24-7-5-22(6-8-24)13-17(25)23-9-11-27-12-10-23/h2-4H,5-13H2,1H3
InChIKeyCCSDNEYWJILRPM-UHFFFAOYSA-N
MW405.88 g/mol
LogP2.01
Rot. Bonds3

About 2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 78800961) has the molecular formula C20H24ClN3O4 and a molecular weight of 405.88 g/mol. Its IUPAC name is 2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID78800961
Molecular FormulaC20H24ClN3O4
Molecular Weight405.88 g/mol
Exact Mass405.15
IUPAC Name2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1c(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)oc2c(Cl)cccc12
InChIInChI=1S/C20H24ClN3O4/c1-14-15-3-2-4-16(21)19(15)28-18(14)20(26)24-7-5-22(6-8-24)13-17(25)23-9-11-27-12-10-23/h2-4H,5-13H2,1H3
InChIKeyCCSDNEYWJILRPM-UHFFFAOYSA-N
XLogP2.01
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone with MolForge

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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
(7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 9440318
azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 17439317
(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
(7-chloro-3-methyl-1-benzofuran-2-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 16550736
(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
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 1439327
N-(2-chlorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 78802177
1-(7-chloro-3-methyl-1-benzofuran-2-yl)propan-1-one
CID 139929639
(7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779859

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone (CID 78800961) is 2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone is Cc1c(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)oc2c(Cl)cccc12.
What is the InChIKey of 2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is CCSDNEYWJILRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4/c1-14-15-3-2-4-16(21)19(15)28-18(14)20(26)24-7-5-22(6-8-24)13-17(25)23-9-11-27-12-10-23/h2-4H,5-13H2,1H3.
What are the key properties of 2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 405.88 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 78800961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).