N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide

C22H27N3O2 — CID 2494845

IUPACN-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide
SMILESCc1cccc(N2CCN(C(=O)CNC(=O)Cc3ccccc3)CC2)c1C
InChIInChI=1S/C22H27N3O2/c1-17-7-6-10-20(18(17)2)24-11-13-25(14-12-24)22(27)16-23-21(26)15-19-8-4-3-5-9-19/h3-10H,11-16H2,1-2H3,(H,23,26)
InChIKeyXMHLDKPTQXTLNT-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.31
Rot. Bonds5

About N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide

N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide (PubChem CID 2494845) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide
PubChem CID2494845
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide
SMILESCc1cccc(N2CCN(C(=O)CNC(=O)Cc3ccccc3)CC2)c1C
InChIInChI=1S/C22H27N3O2/c1-17-7-6-10-20(18(17)2)24-11-13-25(14-12-24)22(27)16-23-21(26)15-19-8-4-3-5-9-19/h3-10H,11-16H2,1-2H3,(H,23,26)
InChIKeyXMHLDKPTQXTLNT-UHFFFAOYSA-N
XLogP2.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide (CID 2494845) is N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide is Cc1cccc(N2CCN(C(=O)CNC(=O)Cc3ccccc3)CC2)c1C.
What is the InChIKey of N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is XMHLDKPTQXTLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-7-6-10-20(18(17)2)24-11-13-25(14-12-24)22(27)16-23-21(26)15-19-8-4-3-5-9-19/h3-10H,11-16H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide?
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 365.48 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 2494845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).