N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide

C20H28N4O3 — CID 113176972

IUPACN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCC(=O)N1CCN(C(=O)CN(C(C)=O)c2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C20H28N4O3/c1-16(25)21-11-13-23(14-12-21)20(27)15-24(17(2)26)19-7-5-18(6-8-19)22-9-3-4-10-22/h5-8H,3-4,9-15H2,1-2H3
InChIKeyASJSTISEDZELBA-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.33
Rot. Bonds4

About N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 113176972) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID113176972
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCC(=O)N1CCN(C(=O)CN(C(C)=O)c2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C20H28N4O3/c1-16(25)21-11-13-23(14-12-21)20(27)15-24(17(2)26)19-7-5-18(6-8-19)22-9-3-4-10-22/h5-8H,3-4,9-15H2,1-2H3
InChIKeyASJSTISEDZELBA-UHFFFAOYSA-N
XLogP1.33
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113175567
N-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113175551
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113177011
N-[4-[acetyl-(2-oxo-2-piperidin-1-ylethyl)amino]phenyl]acetamide
CID 46945104
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide
CID 113177031
N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113177065
N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113177407
3-(N-acetyl-4-pyrrolidin-1-ylanilino)propanoic acid
CID 82320452
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide
CID 113177016
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 113177148
N-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171492

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 113176972) is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide is CC(=O)N1CCN(C(=O)CN(C(C)=O)c2ccc(N3CCCC3)cc2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is ASJSTISEDZELBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-16(25)21-11-13-23(14-12-21)20(27)15-24(17(2)26)19-7-5-18(6-8-19)22-9-3-4-10-22/h5-8H,3-4,9-15H2,1-2H3.
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 372.47 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 113176972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).