N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide

C22H24ClN3O5 — CID 55551154

IUPACN-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1OC
InChIInChI=1S/C22H24ClN3O5/c1-30-18-8-5-16(13-19(18)31-2)21(28)24-14-20(27)25-9-11-26(12-10-25)22(29)15-3-6-17(23)7-4-15/h3-8,13H,9-12,14H2,1-2H3,(H,24,28)
InChIKeyKAWQQBVYEKCCRG-UHFFFAOYSA-N
MW445.90 g/mol
LogP2.07
Rot. Bonds6

About N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 55551154) has the molecular formula C22H24ClN3O5 and a molecular weight of 445.90 g/mol. Its IUPAC name is N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID55551154
Molecular FormulaC22H24ClN3O5
Molecular Weight445.90 g/mol
Exact Mass445.14
IUPAC NameN-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1OC
InChIInChI=1S/C22H24ClN3O5/c1-30-18-8-5-16(13-19(18)31-2)21(28)24-14-20(27)25-9-11-26(12-10-25)22(29)15-3-6-17(23)7-4-15/h3-8,13H,9-12,14H2,1-2H3,(H,24,28)
InChIKeyKAWQQBVYEKCCRG-UHFFFAOYSA-N
XLogP2.07
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.90
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide 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-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51161913
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 112991929
N-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55347503
1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
CID 108544807
3-(4-chlorophenyl)-1-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108543806
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzamide
CID 55588222
4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 55349529
3-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 110605845
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 33000048
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 21275342
3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935184
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide
CID 110291508

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide (CID 55551154) is N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1OC.
What is the InChIKey of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is KAWQQBVYEKCCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O5/c1-30-18-8-5-16(13-19(18)31-2)21(28)24-14-20(27)25-9-11-26(12-10-25)22(29)15-3-6-17(23)7-4-15/h3-8,13H,9-12,14H2,1-2H3,(H,24,28).
What are the key properties of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 445.90 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 55551154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).