[4-(3-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone

C19H21ClN2O2 — CID 597213

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H21ClN2O2/c1-2-24-18-8-6-15(7-9-18)19(23)22-12-10-21(11-13-22)17-5-3-4-16(20)14-17/h3-9,14H,2,10-13H2,1H3
InChIKeyPRSZVVWVFBMCMM-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.70
Rot. Bonds4

About [4-(3-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone (PubChem CID 597213) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
PubChem CID597213
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H21ClN2O2/c1-2-24-18-8-6-15(7-9-18)19(23)22-12-10-21(11-13-22)17-5-3-4-16(20)14-17/h3-9,14H,2,10-13H2,1H3
InChIKeyPRSZVVWVFBMCMM-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide
CID 23653532
1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
N-(2-(4-(4-Chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide
CID 3626837
4-methoxy-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
CID 3154679
Methanone, (4-(3-chlorophenyl)-1-piperazinyl)(4-methoxyphenyl)-
CID 585383
3,4-dihydro-1(2H)-quinolinyl(4-methoxyphenyl)methanone
CID 710667
1-(4-Ethoxybenzoyl)-4-phenylpiperazine
CID 710515
3'-Chloro-4-methoxybenzanilide
CID 346039
N-{4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-butyl}-3-methoxy-benzamide
CID 10644771
N-[3-chloro-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-4-(4-fluorophenoxy)-N-methylcyclohexane-1-carboxamide
CID 89723541
(3-Chloro-4-fluorophenyl)-[4-[[2-[3-(dimethylamino)phenoxy]ethylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 132247311
N-[3-[2-[[1-(3-chloro-4-fluorobenzoyl)-4-fluoropiperidin-4-yl]methylamino]ethoxy]phenyl]acetamide
CID 132247312

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone (CID 597213) is [4-(3-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone?
The InChIKey is PRSZVVWVFBMCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-2-24-18-8-6-15(7-9-18)19(23)22-12-10-21(11-13-22)17-5-3-4-16(20)14-17/h3-9,14H,2,10-13H2,1H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone has a molecular weight of 344.84 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 597213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).