(4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone

C20H23ClN2O3 — CID 9338329

IUPAC(4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)cc(Cl)c1OC
InChIInChI=1S/C20H23ClN2O3/c1-25-18-13-16(12-17(21)19(18)26-2)20(24)23-10-8-22(9-11-23)14-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyDYQDJONZJKXHFP-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.32
Rot. Bonds5

About (4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone

(4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone (PubChem CID 9338329) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone
PubChem CID9338329
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name(4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)cc(Cl)c1OC
InChIInChI=1S/C20H23ClN2O3/c1-25-18-13-16(12-17(21)19(18)26-2)20(24)23-10-8-22(9-11-23)14-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyDYQDJONZJKXHFP-UHFFFAOYSA-N
XLogP3.32
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone;oxalic acid
CID 17367991
(3-chloro-4,5-dimethoxyphenyl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 9082279
[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 28754
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116488
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
CID 28806
[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone;oxalic acid
CID 126476745
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116501
(4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone
CID 23766923
oxalic acid;[4-(3-phenylpropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 2927354
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone;oxalic acid
CID 126476310
(3-chloro-4-ethoxy-5-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 31327621

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone (CID 9338329) is (4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone is COc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)cc(Cl)c1OC.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone?
The InChIKey is DYQDJONZJKXHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-25-18-13-16(12-17(21)19(18)26-2)20(24)23-10-8-22(9-11-23)14-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone?
(4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone has a molecular weight of 374.87 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 9338329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).