N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide

C17H22N4O3 — CID 78883362

IUPACN-[4-(3-oxopiperazin-1-yl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESO=C1CN(c2ccc(NC(=O)CN3CCCCC3=O)cc2)CCN1
InChIInChI=1S/C17H22N4O3/c22-15-11-20(10-8-18-15)14-6-4-13(5-7-14)19-16(23)12-21-9-2-1-3-17(21)24/h4-7H,1-3,8-12H2,(H,18,22)(H,19,23)
InChIKeySJSPULQVDIYXQG-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.57
Rot. Bonds4

About N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide

N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 78883362) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3-oxopiperazin-1-yl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID78883362
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[4-(3-oxopiperazin-1-yl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESO=C1CN(c2ccc(NC(=O)CN3CCCCC3=O)cc2)CCN1
InChIInChI=1S/C17H22N4O3/c22-15-11-20(10-8-18-15)14-6-4-13(5-7-14)19-16(23)12-21-9-2-1-3-17(21)24/h4-7H,1-3,8-12H2,(H,18,22)(H,19,23)
InChIKeySJSPULQVDIYXQG-UHFFFAOYSA-N
XLogP0.57
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.57
H-Bond Donors ≤ 52
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-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 78876546
N-[4-(3-oxopiperazin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78866394
4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide
CID 110689860
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727873
N-[2-methyl-5-(3-oxo-1,4-diazepane-1-carbonyl)phenyl]-2-(2-oxoazepan-1-yl)acetamide
CID 172662124
5-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]furan-2-carboxamide
CID 46473375
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 512844
1-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrole-2-carboxamide
CID 78875733
N-(3,5-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689887
methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
CID 9068811
N-(4-aminophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 16778608
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78866546

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide (CID 78883362) is N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide is O=C1CN(c2ccc(NC(=O)CN3CCCCC3=O)cc2)CCN1.
What is the InChIKey of N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is SJSPULQVDIYXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-15-11-20(10-8-18-15)14-6-4-13(5-7-14)19-16(23)12-21-9-2-1-3-17(21)24/h4-7H,1-3,8-12H2,(H,18,22)(H,19,23).
What are the key properties of N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide?
N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 330.39 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 78883362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).