phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

C21H26N2O4 — CID 1148101

IUPACphenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN2CCN(C(=O)c3ccccc3)CC2)c(OC)c1OC
InChIInChI=1S/C21H26N2O4/c1-25-18-10-9-17(19(26-2)20(18)27-3)15-22-11-13-23(14-12-22)21(24)16-7-5-4-6-8-16/h4-10H,11-15H2,1-3H3
InChIKeyDBZVLLZQEOTRLY-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.67
Rot. Bonds6

About phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 1148101) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID1148101
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Namephenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN2CCN(C(=O)c3ccccc3)CC2)c(OC)c1OC
InChIInChI=1S/C21H26N2O4/c1-25-18-10-9-17(19(26-2)20(18)27-3)15-22-11-13-23(14-12-22)21(24)16-7-5-4-6-8-16/h4-10H,11-15H2,1-3H3
InChIKeyDBZVLLZQEOTRLY-UHFFFAOYSA-N
XLogP2.67
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

oxalic acid;(4-phenylphenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 17366111
(4-fluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131721
(2-fluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1122393
(3,4-difluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 9069694
(5,6,7-trimethoxynaphthalen-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110182317
[4-(diethylaminomethyl)phenyl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 55650413
oxalic acid;thiophen-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 17366168
[3-(difluoromethoxy)-4-methoxyphenyl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 55740839
1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
CID 135293907
1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
CID 9071450
(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 46628525
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 46637456

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone (CID 1148101) is phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone is COc1ccc(CN2CCN(C(=O)c3ccccc3)CC2)c(OC)c1OC.
What is the InChIKey of phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is DBZVLLZQEOTRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-25-18-10-9-17(19(26-2)20(18)27-3)15-22-11-13-23(14-12-22)21(24)16-7-5-4-6-8-16/h4-10H,11-15H2,1-3H3.
What are the key properties of phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 370.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 1148101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).