1-[3-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]ethanone

C19H21ClN2O2 — CID 110453058

IUPAC1-[3-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]ethanone
SMILESCOc1ccccc1N1CCN(c2cc(Cl)cc(C(C)=O)c2)CC1
InChIInChI=1S/C19H21ClN2O2/c1-14(23)15-11-16(20)13-17(12-15)21-7-9-22(10-8-21)18-5-3-4-6-19(18)24-2/h3-6,11-13H,7-10H2,1-2H3
InChIKeySCMGNQCQFIFIGV-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.88
Rot. Bonds4

About 1-[3-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]ethanone

1-[3-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 110453058) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-[3-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]ethanone
PubChem CID110453058
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-[3-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]ethanone
SMILESCOc1ccccc1N1CCN(c2cc(Cl)cc(C(C)=O)c2)CC1
InChIInChI=1S/C19H21ClN2O2/c1-14(23)15-11-16(20)13-17(12-15)21-7-9-22(10-8-21)18-5-3-4-6-19(18)24-2/h3-6,11-13H,7-10H2,1-2H3
InChIKeySCMGNQCQFIFIGV-UHFFFAOYSA-N
XLogP3.88
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone
CID 110453059
3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 10024401
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]acetamide
CID 44590474
2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 110452691
(3,5-dichloro-4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9034132
1-(4-chlorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
CID 681522
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
N-[N-(3,5-dichlorophenyl)-C-[4-(2-methoxyphenyl)piperazin-1-yl]carbonimidoyl]acetamide
CID 135736239
(E)-3-(3-chloro-4-methylphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 9335253
1-(4-chlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 9335597
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 71116229

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[3-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]ethanone (CID 110453058) is 1-[3-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]ethanone is COc1ccccc1N1CCN(c2cc(Cl)cc(C(C)=O)c2)CC1.
What is the InChIKey of 1-[3-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is SCMGNQCQFIFIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14(23)15-11-16(20)13-17(12-15)21-7-9-22(10-8-21)18-5-3-4-6-19(18)24-2/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 1-[3-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]ethanone?
1-[3-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 344.84 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 110453058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).