2-chloro-N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide

C23H28ClN3O5 — CID 31606677

IUPAC2-chloro-N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
SMILESCOc1ccc(CN2CCN(C(=O)CNC(=O)c3ccccc3Cl)CC2)c(OC)c1OC
InChIInChI=1S/C23H28ClN3O5/c1-30-19-9-8-16(21(31-2)22(19)32-3)15-26-10-12-27(13-11-26)20(28)14-25-23(29)17-6-4-5-7-18(17)24/h4-9H,10-15H2,1-3H3,(H,25,29)
InChIKeyLNUZDAQCIHLEOF-UHFFFAOYSA-N
MW461.95 g/mol
LogP2.44
Rot. Bonds8

About 2-chloro-N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide

2-chloro-N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide (PubChem CID 31606677) has the molecular formula C23H28ClN3O5 and a molecular weight of 461.95 g/mol. Its IUPAC name is 2-chloro-N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
PubChem CID31606677
Molecular FormulaC23H28ClN3O5
Molecular Weight461.95 g/mol
Exact Mass461.17
IUPAC Name2-chloro-N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
SMILESCOc1ccc(CN2CCN(C(=O)CNC(=O)c3ccccc3Cl)CC2)c(OC)c1OC
InChIInChI=1S/C23H28ClN3O5/c1-30-19-9-8-16(21(31-2)22(19)32-3)15-26-10-12-27(13-11-26)20(28)14-25-23(29)17-6-4-5-7-18(17)24/h4-9H,10-15H2,1-3H3,(H,25,29)
InChIKeyLNUZDAQCIHLEOF-UHFFFAOYSA-N
XLogP2.44
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 9069712
3-methyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 1203196
1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
CID 9071450
(2-fluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1122393
phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148101
2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 30543359
ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2622961
2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 36866031
N-[4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]cyclopropanecarboxamide
CID 39953095
1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
CID 135293907
N-(3-chlorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 17468033
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide (CID 31606677) is 2-chloro-N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide is COc1ccc(CN2CCN(C(=O)CNC(=O)c3ccccc3Cl)CC2)c(OC)c1OC.
What is the InChIKey of 2-chloro-N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide?
The InChIKey is LNUZDAQCIHLEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O5/c1-30-19-9-8-16(21(31-2)22(19)32-3)15-26-10-12-27(13-11-26)20(28)14-25-23(29)17-6-4-5-7-18(17)24/h4-9H,10-15H2,1-3H3,(H,25,29).
What are the key properties of 2-chloro-N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide?
2-chloro-N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide has a molecular weight of 461.95 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 31606677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).