N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide

C21H25N3O3 — CID 2568912

IUPACN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide
SMILESCOc1ccc(N2CCN(C(=O)CNC(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O3/c1-27-19-9-7-18(8-10-19)23-11-13-24(14-12-23)21(26)16-22-20(25)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,22,25)
InChIKeySYMPGZZETGDQQF-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.70
Rot. Bonds6

About N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide

N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide (PubChem CID 2568912) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide
PubChem CID2568912
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide
SMILESCOc1ccc(N2CCN(C(=O)CNC(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O3/c1-27-19-9-7-18(8-10-19)23-11-13-24(14-12-23)21(26)16-22-20(25)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,22,25)
InChIKeySYMPGZZETGDQQF-UHFFFAOYSA-N
XLogP1.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide (CID 2568912) is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide is COc1ccc(N2CCN(C(=O)CNC(=O)Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is SYMPGZZETGDQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-27-19-9-7-18(8-10-19)23-11-13-24(14-12-23)21(26)16-22-20(25)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,22,25).
What are the key properties of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide?
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 367.45 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 2568912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).