3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one

C21H23ClN2O2 — CID 177381129

IUPAC3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
SMILESO=C1OC(CCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc21
InChIInChI=1S/C21H23ClN2O2/c22-16-5-3-6-17(15-16)24-13-11-23(12-14-24)10-4-9-20-18-7-1-2-8-19(18)21(25)26-20/h1-3,5-8,15,20H,4,9-14H2
InChIKeyHMHPLFATTVALPJ-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.15
Rot. Bonds5

About 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one

3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one (PubChem CID 177381129) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
PubChem CID177381129
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
SMILESO=C1OC(CCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc21
InChIInChI=1S/C21H23ClN2O2/c22-16-5-3-6-17(15-16)24-13-11-23(12-14-24)10-4-9-20-18-7-1-2-8-19(18)21(25)26-20/h1-3,5-8,15,20H,4,9-14H2
InChIKeyHMHPLFATTVALPJ-UHFFFAOYSA-N
XLogP4.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
CID 177381139
1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine
CID 22029328
3-[3-[4-(7-chloro-1H-indole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
CID 177381162
3-[3-[4-(4-methylbenzoyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
CID 177381148
1-(3-chlorophenyl)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-dihydroisoquinolin-3-one
CID 10480878
2-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]benzo[de]isoquinoline-1,3-dione
CID 12965902
4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 14086477
3-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
CID 177381156
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-fluoren-9-ylidenepyrrolidine-2,5-dione
CID 10815166
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5,6-dihydro-3H-thieno[2,3-d]triazin-4-one;hydrochloride
CID 24846863
5-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]oxolan-2-one
CID 15104522

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one?
The IUPAC name of 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one (CID 177381129) is 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one?
The canonical SMILES for 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one is O=C1OC(CCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc21.
What is the InChIKey of 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one?
The InChIKey is HMHPLFATTVALPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-16-5-3-6-17(15-16)24-13-11-23(12-14-24)10-4-9-20-18-7-1-2-8-19(18)21(25)26-20/h1-3,5-8,15,20H,4,9-14H2.
What are the key properties of 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one?
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one has a molecular weight of 370.88 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 177381129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).