2-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide

C23H29ClN4O2 — CID 17484909

IUPAC2-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)C(C)N2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C23H29ClN4O2/c1-17-8-10-19(11-9-17)25-22(29)16-26(3)23(30)18(2)27-12-14-28(15-13-27)21-7-5-4-6-20(21)24/h4-11,18H,12-16H2,1-3H3,(H,25,29)
InChIKeyWCAOZEMCWPTIHK-UHFFFAOYSA-N
MW428.96 g/mol
LogP3.26
Rot. Bonds6

About 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide

2-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide (PubChem CID 17484909) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
PubChem CID17484909
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)C(C)N2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C23H29ClN4O2/c1-17-8-10-19(11-9-17)25-22(29)16-26(3)23(30)18(2)27-12-14-28(15-13-27)21-7-5-4-6-20(21)24/h4-11,18H,12-16H2,1-3H3,(H,25,29)
InChIKeyWCAOZEMCWPTIHK-UHFFFAOYSA-N
XLogP3.26
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide (CID 17484909) is 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide is Cc1ccc(NC(=O)CN(C)C(=O)C(C)N2CCN(c3ccccc3Cl)CC2)cc1.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide?
The InChIKey is WCAOZEMCWPTIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-17-8-10-19(11-9-17)25-22(29)16-26(3)23(30)18(2)27-12-14-28(15-13-27)21-7-5-4-6-20(21)24/h4-11,18H,12-16H2,1-3H3,(H,25,29).
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide?
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide has a molecular weight of 428.96 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 17484909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).