oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone

C20H34N4O6 — CID 171669466

IUPACoxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCCCC1)N1CCN(C(=O)CN2CCCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C18H32N4O2.C2H2O4/c23-17(15-19-7-3-1-4-8-19)21-11-13-22(14-12-21)18(24)16-20-9-5-2-6-10-20;3-1(4)2(5)6/h1-16H2;(H,3,4)(H,5,6)
InChIKeyWZLJKCNLAMTYHT-UHFFFAOYSA-N
MW426.51 g/mol
LogP-0.22
Rot. Bonds4

About oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone

oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone (PubChem CID 171669466) has the molecular formula C20H34N4O6 and a molecular weight of 426.51 g/mol. Its IUPAC name is oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Nameoxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone
PubChem CID171669466
Molecular FormulaC20H34N4O6
Molecular Weight426.51 g/mol
Exact Mass426.25
IUPAC Nameoxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCCCC1)N1CCN(C(=O)CN2CCCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C18H32N4O2.C2H2O4/c23-17(15-19-7-3-1-4-8-19)21-11-13-22(14-12-21)18(24)16-20-9-5-2-6-10-20;3-1(4)2(5)6/h1-16H2;(H,3,4)(H,5,6)
InChIKeyWZLJKCNLAMTYHT-UHFFFAOYSA-N
XLogP-0.22
TPSA121.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone;oxalic acid
CID 171668700
N,N-diethyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid
CID 171668876
oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 171668887
N-cyclohexyl-N-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide;oxalic acid
CID 171668895
2-(3-Methylpiperidin-1-yl)-1-[4-[2-(3-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone;oxalic acid
CID 171700176
1-(2,6-Dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone;oxalic acid
CID 175654356

Frequently Asked Questions

What is the IUPAC name of oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone?
The IUPAC name of oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone (CID 171669466) is oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone.
What is the SMILES notation for oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone?
The canonical SMILES for oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone is O=C(CN1CCCCC1)N1CCN(C(=O)CN2CCCCC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone?
The InChIKey is WZLJKCNLAMTYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2.C2H2O4/c23-17(15-19-7-3-1-4-8-19)21-11-13-22(14-12-21)18(24)16-20-9-5-2-6-10-20;3-1(4)2(5)6/h1-16H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone?
oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone has a molecular weight of 426.51 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 171669466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).