2-(3-chloro-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone

C19H21ClN2O2 — CID 110767057

IUPAC2-(3-chloro-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-24-18-8-7-15(13-17(18)20)14-19(23)22-11-9-21(10-12-22)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyFSNBTVMOIKKAPC-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.24
Rot. Bonds4

About 2-(3-chloro-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone

2-(3-chloro-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 110767057) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID110767057
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(3-chloro-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-24-18-8-7-15(13-17(18)20)14-19(23)22-11-9-21(10-12-22)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyFSNBTVMOIKKAPC-UHFFFAOYSA-N
XLogP3.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 113077100
2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110767033
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 1108344
1-(azepan-1-yl)-2-(3-chloro-4-methoxyphenyl)ethanone
CID 110767076
3-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 91890655
3-(3-chloro-4-methoxyphenyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55661061
1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 113076732
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
3-(3-chloro-4-methoxyphenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 60566295
1-(4-benzylpiperazin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 110766994
2-(3-chloro-4-methoxyphenyl)-1-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
CID 53202513
3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110755813

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone (CID 110767057) is 2-(3-chloro-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone is COc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is FSNBTVMOIKKAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-24-18-8-7-15(13-17(18)20)14-19(23)22-11-9-21(10-12-22)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(3-chloro-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 344.84 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110767057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).