2-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

C19H21ClN2O2 — CID 975545

IUPAC2-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H21ClN2O2/c1-24-18-8-6-17(7-9-18)21-10-12-22(13-11-21)19(23)14-15-2-4-16(20)5-3-15/h2-9H,10-14H2,1H3
InChIKeyXZKMBRMJDPQYPH-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.24
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

2-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 975545) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID975545
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H21ClN2O2/c1-24-18-8-6-17(7-9-18)21-10-12-22(13-11-21)19(23)14-15-2-4-16(20)5-3-15/h2-9H,10-14H2,1H3
InChIKeyXZKMBRMJDPQYPH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

Clanobutin
CID 35378
N-(2-(4-(4-Chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide
CID 3626837
Para-methoxybutyryl fentanyl
CID 118796493
Methanone, (4-(3-chlorophenyl)-1-piperazinyl)(4-methoxyphenyl)-
CID 585383
4-Chloro-N-(4-methoxyphenyl)benzamide
CID 221848
Succinamide peptidomimetic, 33
CID 11238059
(2S)-3-(4-chlorophenyl)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]propanamide
CID 23648317
N-{4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-butyl}-3-methoxy-benzamide
CID 10644771
1-(3-Chlorophenyl)-4-(4-ethoxybenzoyl)piperazine
CID 597213
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 937377
[4-(3-Chloro-phenyl)-piperazin-1-yl]-(2-methoxy-phenyl)-methanone
CID 646835
(4-(3-Chlorophenyl)piperazin-1-yl)(2-ethoxyphenyl)methanone
CID 871395

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (CID 975545) is 2-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is XZKMBRMJDPQYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-24-18-8-6-17(7-9-18)21-10-12-22(13-11-21)19(23)14-15-2-4-16(20)5-3-15/h2-9H,10-14H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-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-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 975545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).