[2-(dimethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate

C16H28N4O4 — CID 58135806

IUPAC[2-(dimethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate
SMILESCN1CCN(C2CCN(C(=O)C(=O)OCC(=O)N(C)C)CC2)CC1
InChIInChI=1S/C16H28N4O4/c1-17(2)14(21)12-24-16(23)15(22)20-6-4-13(5-7-20)19-10-8-18(3)9-11-19/h13H,4-12H2,1-3H3
InChIKeyNKMIVOCPNNNAMK-UHFFFAOYSA-N
MW340.42 g/mol
LogP-1.14
Rot. Bonds3

About [2-(dimethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate

[2-(dimethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate (PubChem CID 58135806) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate
PubChem CID58135806
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate
SMILESCN1CCN(C2CCN(C(=O)C(=O)OCC(=O)N(C)C)CC2)CC1
InChIInChI=1S/C16H28N4O4/c1-17(2)14(21)12-24-16(23)15(22)20-6-4-13(5-7-20)19-10-8-18(3)9-11-19/h13H,4-12H2,1-3H3
InChIKeyNKMIVOCPNNNAMK-UHFFFAOYSA-N
XLogP-1.14
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-1.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-(dimethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate with MolForge

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Related Compounds

1-Morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone;oxalic acid
CID 16195115
2,3-Morpholinedione, 4-ethyl-6-(1-piperidinylmethyl)-, monohydrobromide
CID 3040600
4-Ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione
CID 3040601
2-[2-[2-Morpholin-4-ylethyl-(1-propylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid
CID 3471114
Methyl [4-(1-acetylpiperidin-4-yl)-3-methyl-2-oxopiperazin-1-yl]acetate
CID 50966805
Tert-butyl 4-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]piperazine-1-carboxylate
CID 54524982
[2-(Dimethylamino)-2-oxoethyl] 2-[4-(1,4-dimethylpiperidin-4-yl)piperazin-1-yl]acetate
CID 58135823
3-Morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate
CID 58135828
[2-(Dimethylamino)-2-oxoethyl] 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
CID 58135830
2-(Dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate
CID 58135835
2-Morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate
CID 58135847
3-(2-Oxopiperidin-1-yl)propyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate
CID 58135849

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate (CID 58135806) is [2-(dimethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate is CN1CCN(C2CCN(C(=O)C(=O)OCC(=O)N(C)C)CC2)CC1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate?
The InChIKey is NKMIVOCPNNNAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-17(2)14(21)12-24-16(23)15(22)20-6-4-13(5-7-20)19-10-8-18(3)9-11-19/h13H,4-12H2,1-3H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate?
[2-(dimethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate has a molecular weight of 340.42 g/mol, XLogP of -1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate is sourced from PubChem (CID 58135806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).