2-(4-chlorophenyl)-2-[4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide

C22H27ClN4O4 — CID 75449368

IUPAC2-(4-chlorophenyl)-2-[4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2CCN(C(C(N)=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H27ClN4O4/c1-30-17-7-8-19(31-2)18(13-17)25-20(28)14-26-9-11-27(12-10-26)21(22(24)29)15-3-5-16(23)6-4-15/h3-8,13,21H,9-12,14H2,1-2H3,(H2,24,29)(H,25,28)
InChIKeyMIQOQDXFICWAMB-UHFFFAOYSA-N
MW446.94 g/mol
LogP2.14
Rot. Bonds8

About 2-(4-chlorophenyl)-2-[4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide

2-(4-chlorophenyl)-2-[4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 75449368) has the molecular formula C22H27ClN4O4 and a molecular weight of 446.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID75449368
Molecular FormulaC22H27ClN4O4
Molecular Weight446.94 g/mol
Exact Mass446.17
IUPAC Name2-(4-chlorophenyl)-2-[4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2CCN(C(C(N)=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H27ClN4O4/c1-30-17-7-8-19(31-2)18(13-17)25-20(28)14-26-9-11-27(12-10-26)21(22(24)29)15-3-5-16(23)6-4-15/h3-8,13,21H,9-12,14H2,1-2H3,(H2,24,29)(H,25,28)
InChIKeyMIQOQDXFICWAMB-UHFFFAOYSA-N
XLogP2.14
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
N-(5-chloro-2-methoxyphenyl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910110
N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132785417
N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;dihydrochloride
CID 56773506
2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 846639
2-[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 29162746
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531166
N-(5-chloro-2-methoxyphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 60585239
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130137
2-(1,4-diazepan-1-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119906303
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 37445813
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 2497046

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-[4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide (CID 75449368) is 2-(4-chlorophenyl)-2-[4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-[4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide is COc1ccc(OC)c(NC(=O)CN2CCN(C(C(N)=O)c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is MIQOQDXFICWAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O4/c1-30-17-7-8-19(31-2)18(13-17)25-20(28)14-26-9-11-27(12-10-26)21(22(24)29)15-3-5-16(23)6-4-15/h3-8,13,21H,9-12,14H2,1-2H3,(H2,24,29)(H,25,28).
What are the key properties of 2-(4-chlorophenyl)-2-[4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
2-(4-chlorophenyl)-2-[4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 446.94 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 75449368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).