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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Related Compounds

N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide
CID 108518014
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidine-4-carboxamide
CID 108532151
1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 28507184
ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
CID 145305613
2-oxo-N-prop-1-en-2-yl-2-pyrrolidin-1-ylacetamide
CID 89129366
ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
N-cycloheptyl-N'-(piperidine-4-carbonyl)oxamide
CID 108530968
N-[(Z)-2-cyano-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 108862047
N-acetylpyrrolidine-3-carboxamide
CID 69120322
2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide
CID 108508318
1-acetyl-N-hydroxypiperidine-4-carboxamide
CID 126992136
1-piperidin-4-ylethanone
CID 2723764

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).