(4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone

C21H26N2O2 — CID 23766923

IUPAC(4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone
SMILESCCc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccc1OC
InChIInChI=1S/C21H26N2O2/c1-3-18-15-19(9-10-20(18)25-2)21(24)23-13-11-22(12-14-23)16-17-7-5-4-6-8-17/h4-10,15H,3,11-14,16H2,1-2H3
InChIKeyGWZNLMVDNNAXLO-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.22
Rot. Bonds5

About (4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone

(4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone (PubChem CID 23766923) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone
PubChem CID23766923
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone
SMILESCCc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccc1OC
InChIInChI=1S/C21H26N2O2/c1-3-18-15-19(9-10-20(18)25-2)21(24)23-13-11-22(12-14-23)16-17-7-5-4-6-8-17/h4-10,15H,3,11-14,16H2,1-2H3
InChIKeyGWZNLMVDNNAXLO-UHFFFAOYSA-N
XLogP3.22
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 110802032
(3,4-dimethoxyphenyl)-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methanone
CID 1015165
(3,4-dimethoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17385004
(3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone
CID 110761899
(4-benzyl-1,4-diazepan-1-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 51279436
(3,4-dimethoxyphenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1072244
[4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 32641638
(3,4-dimethoxyphenyl)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1074824
(4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone
CID 9338329
(3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 110814057
(3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398984
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone (CID 23766923) is (4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone is CCc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccc1OC.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone?
The InChIKey is GWZNLMVDNNAXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-18-15-19(9-10-20(18)25-2)21(24)23-13-11-22(12-14-23)16-17-7-5-4-6-8-17/h4-10,15H,3,11-14,16H2,1-2H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone?
(4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone has a molecular weight of 338.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone is sourced from PubChem (CID 23766923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).