3-(3-chloro-4-methylphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one

C21H25ClN2O2 — CID 38601321

IUPAC3-(3-chloro-4-methylphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1cccc(N2CCN(C(=O)CCc3ccc(C)c(Cl)c3)CC2)c1
InChIInChI=1S/C21H25ClN2O2/c1-16-6-7-17(14-20(16)22)8-9-21(25)24-12-10-23(11-13-24)18-4-3-5-19(15-18)26-2/h3-7,14-15H,8-13H2,1-2H3
InChIKeyVHWWCCAZUBGERP-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.94
Rot. Bonds5

About 3-(3-chloro-4-methylphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one

3-(3-chloro-4-methylphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 38601321) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID38601321
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name3-(3-chloro-4-methylphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1cccc(N2CCN(C(=O)CCc3ccc(C)c(Cl)c3)CC2)c1
InChIInChI=1S/C21H25ClN2O2/c1-16-6-7-17(14-20(16)22)8-9-21(25)24-12-10-23(11-13-24)18-4-3-5-19(15-18)26-2/h3-7,14-15H,8-13H2,1-2H3
InChIKeyVHWWCCAZUBGERP-UHFFFAOYSA-N
XLogP3.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 60556729
3-(1-ethylindol-6-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 50847816
1-(2,5-dimethylphenyl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 9372365
3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398756
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 2683207
3-(3-chloro-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 17460018
3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8001578
3-(3-methoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 34318339
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 30795165
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110738740
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 38601321) is 3-(3-chloro-4-methylphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1cccc(N2CCN(C(=O)CCc3ccc(C)c(Cl)c3)CC2)c1.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is VHWWCCAZUBGERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-16-6-7-17(14-20(16)22)8-9-21(25)24-12-10-23(11-13-24)18-4-3-5-19(15-18)26-2/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of 3-(3-chloro-4-methylphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one?
3-(3-chloro-4-methylphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 372.90 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 38601321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).