N-[4-oxo-4-(3-oxo-4-piperidin-4-ylpiperazin-1-yl)butyl]acetamide

C15H26N4O3 — CID 134790481

IUPACN-[4-oxo-4-(3-oxo-4-piperidin-4-ylpiperazin-1-yl)butyl]acetamide
SMILESCC(=O)NCCCC(=O)N1CCN(C2CCNCC2)C(=O)C1
InChIInChI=1S/C15H26N4O3/c1-12(20)17-6-2-3-14(21)18-9-10-19(15(22)11-18)13-4-7-16-8-5-13/h13,16H,2-11H2,1H3,(H,17,20)
InChIKeyZQHQNJCCIGSCPC-UHFFFAOYSA-N
MW310.40 g/mol
LogP-0.67
Rot. Bonds5

About N-[4-oxo-4-(3-oxo-4-piperidin-4-ylpiperazin-1-yl)butyl]acetamide

N-[4-oxo-4-(3-oxo-4-piperidin-4-ylpiperazin-1-yl)butyl]acetamide (PubChem CID 134790481) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[4-oxo-4-(3-oxo-4-piperidin-4-ylpiperazin-1-yl)butyl]acetamide.

Molecular Properties

Compound NameN-[4-oxo-4-(3-oxo-4-piperidin-4-ylpiperazin-1-yl)butyl]acetamide
PubChem CID134790481
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC NameN-[4-oxo-4-(3-oxo-4-piperidin-4-ylpiperazin-1-yl)butyl]acetamide
SMILESCC(=O)NCCCC(=O)N1CCN(C2CCNCC2)C(=O)C1
InChIInChI=1S/C15H26N4O3/c1-12(20)17-6-2-3-14(21)18-9-10-19(15(22)11-18)13-4-7-16-8-5-13/h13,16H,2-11H2,1H3,(H,17,20)
InChIKeyZQHQNJCCIGSCPC-UHFFFAOYSA-N
XLogP-0.67
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(3-oxo-4-piperidin-4-ylpiperazin-1-yl)butyl]acetamide?
The IUPAC name of N-[4-oxo-4-(3-oxo-4-piperidin-4-ylpiperazin-1-yl)butyl]acetamide (CID 134790481) is N-[4-oxo-4-(3-oxo-4-piperidin-4-ylpiperazin-1-yl)butyl]acetamide.
What is the SMILES notation for N-[4-oxo-4-(3-oxo-4-piperidin-4-ylpiperazin-1-yl)butyl]acetamide?
The canonical SMILES for N-[4-oxo-4-(3-oxo-4-piperidin-4-ylpiperazin-1-yl)butyl]acetamide is CC(=O)NCCCC(=O)N1CCN(C2CCNCC2)C(=O)C1.
What is the InChIKey of N-[4-oxo-4-(3-oxo-4-piperidin-4-ylpiperazin-1-yl)butyl]acetamide?
The InChIKey is ZQHQNJCCIGSCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-12(20)17-6-2-3-14(21)18-9-10-19(15(22)11-18)13-4-7-16-8-5-13/h13,16H,2-11H2,1H3,(H,17,20).
What are the key properties of N-[4-oxo-4-(3-oxo-4-piperidin-4-ylpiperazin-1-yl)butyl]acetamide?
N-[4-oxo-4-(3-oxo-4-piperidin-4-ylpiperazin-1-yl)butyl]acetamide has a molecular weight of 310.40 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(3-oxo-4-piperidin-4-ylpiperazin-1-yl)butyl]acetamide is sourced from PubChem (CID 134790481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).