N-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide

C14H22N4O4 — CID 108508465

IUPACN-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCN(C(=O)C(=O)NC(=O)C2CCNCC2)CC1
InChIInChI=1S/C14H22N4O4/c1-10(19)17-6-8-18(9-7-17)14(22)13(21)16-12(20)11-2-4-15-5-3-11/h11,15H,2-9H2,1H3,(H,16,20,21)
InChIKeyMTBDLAJFTFGRGU-UHFFFAOYSA-N
MW310.35 g/mol
LogP-1.68
Rot. Bonds1

About N-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide

N-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide (PubChem CID 108508465) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide
PubChem CID108508465
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCN(C(=O)C(=O)NC(=O)C2CCNCC2)CC1
InChIInChI=1S/C14H22N4O4/c1-10(19)17-6-8-18(9-7-17)14(22)13(21)16-12(20)11-2-4-15-5-3-11/h11,15H,2-9H2,1H3,(H,16,20,21)
InChIKeyMTBDLAJFTFGRGU-UHFFFAOYSA-N
XLogP-1.68
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide (CID 108508465) is N-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide is CC(=O)N1CCN(C(=O)C(=O)NC(=O)C2CCNCC2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide?
The InChIKey is MTBDLAJFTFGRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-10(19)17-6-8-18(9-7-17)14(22)13(21)16-12(20)11-2-4-15-5-3-11/h11,15H,2-9H2,1H3,(H,16,20,21).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide?
N-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide has a molecular weight of 310.35 g/mol, XLogP of -1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 108508465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).