2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide

C22H27ClN4O2 — CID 8591190

IUPAC2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN2CCN(c3cc(Cl)ccc3C)CC2)c(C)c1
InChIInChI=1S/C22H27ClN4O2/c1-15-4-7-19(17(3)12-15)24-22(29)25-21(28)14-26-8-10-27(11-9-26)20-13-18(23)6-5-16(20)2/h4-7,12-13H,8-11,14H2,1-3H3,(H2,24,25,28,29)
InChIKeyXZPVRYXNUKTSBJ-UHFFFAOYSA-N
MW414.94 g/mol
LogP3.74
Rot. Bonds4

About 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide (PubChem CID 8591190) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
PubChem CID8591190
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN2CCN(c3cc(Cl)ccc3C)CC2)c(C)c1
InChIInChI=1S/C22H27ClN4O2/c1-15-4-7-19(17(3)12-15)24-22(29)25-21(28)14-26-8-10-27(11-9-26)20-13-18(23)6-5-16(20)2/h4-7,12-13H,8-11,14H2,1-3H3,(H2,24,25,28,29)
InChIKeyXZPVRYXNUKTSBJ-UHFFFAOYSA-N
XLogP3.74
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 8591262
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8591260
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 22199281
N-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 9438309
1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907840
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 9362056
ethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932030
N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 18083622
2-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 17493759
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
CID 86928300
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
CID 6467861
4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 8591306

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
The IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide (CID 8591190) is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
The canonical SMILES for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide is Cc1ccc(NC(=O)NC(=O)CN2CCN(c3cc(Cl)ccc3C)CC2)c(C)c1.
What is the InChIKey of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
The InChIKey is XZPVRYXNUKTSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-15-4-7-19(17(3)12-15)24-22(29)25-21(28)14-26-8-10-27(11-9-26)20-13-18(23)6-5-16(20)2/h4-7,12-13H,8-11,14H2,1-3H3,(H2,24,25,28,29).
What are the key properties of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide has a molecular weight of 414.94 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide is sourced from PubChem (CID 8591190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).