N-methyl-2-oxo-N-(1-phenylethyl)-2-(4-phenylpiperazin-1-yl)acetamide

C21H25N3O2 — CID 119035022

IUPACN-methyl-2-oxo-N-(1-phenylethyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c1-17(18-9-5-3-6-10-18)22(2)20(25)21(26)24-15-13-23(14-16-24)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3
InChIKeyLDKHKYMXUSFYEX-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.55
Rot. Bonds3

About N-methyl-2-oxo-N-(1-phenylethyl)-2-(4-phenylpiperazin-1-yl)acetamide

N-methyl-2-oxo-N-(1-phenylethyl)-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 119035022) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-methyl-2-oxo-N-(1-phenylethyl)-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-(1-phenylethyl)-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID119035022
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-methyl-2-oxo-N-(1-phenylethyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c1-17(18-9-5-3-6-10-18)22(2)20(25)21(26)24-15-13-23(14-16-24)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3
InChIKeyLDKHKYMXUSFYEX-UHFFFAOYSA-N
XLogP2.55
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-oxo-2-(4-phenylpiperazin-1-yl)acetate
CID 2051799
1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione
CID 2200683
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 9347790
N-methyl-N,4-diphenylpiperazine-1-carboxamide
CID 890140
N-ethyl-2-oxo-N-phenyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 108518692
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108986682
N-methyl-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9347535
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide
CID 113118944
1-(4-phenylpiperazin-1-yl)butane-1,2-dione
CID 70905363
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 9348034
methyl(1-phenylethyl)carbamic acid
CID 67062794
[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248828

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-(1-phenylethyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-methyl-2-oxo-N-(1-phenylethyl)-2-(4-phenylpiperazin-1-yl)acetamide (CID 119035022) is N-methyl-2-oxo-N-(1-phenylethyl)-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-methyl-2-oxo-N-(1-phenylethyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-methyl-2-oxo-N-(1-phenylethyl)-2-(4-phenylpiperazin-1-yl)acetamide is CC(c1ccccc1)N(C)C(=O)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-methyl-2-oxo-N-(1-phenylethyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is LDKHKYMXUSFYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-17(18-9-5-3-6-10-18)22(2)20(25)21(26)24-15-13-23(14-16-24)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3.
What are the key properties of N-methyl-2-oxo-N-(1-phenylethyl)-2-(4-phenylpiperazin-1-yl)acetamide?
N-methyl-2-oxo-N-(1-phenylethyl)-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-(1-phenylethyl)-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 119035022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).