[2-(dimethylamino)-2-oxoethyl] 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate

C17H32N4O3 — CID 58135830

IUPAC[2-(dimethylamino)-2-oxoethyl] 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
SMILESCN1CCN(C2CCN(CCC(=O)OCC(=O)N(C)C)CC2)CC1
InChIInChI=1S/C17H32N4O3/c1-18(2)16(22)14-24-17(23)6-9-20-7-4-15(5-8-20)21-12-10-19(3)11-13-21/h15H,4-14H2,1-3H3
InChIKeyUCMBYSKRQNRMQH-UHFFFAOYSA-N
MW340.47 g/mol
LogP-0.28
Rot. Bonds6

About [2-(dimethylamino)-2-oxoethyl] 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate

[2-(dimethylamino)-2-oxoethyl] 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate (PubChem CID 58135830) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
PubChem CID58135830
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
SMILESCN1CCN(C2CCN(CCC(=O)OCC(=O)N(C)C)CC2)CC1
InChIInChI=1S/C17H32N4O3/c1-18(2)16(22)14-24-17(23)6-9-20-7-4-15(5-8-20)21-12-10-19(3)11-13-21/h15H,4-14H2,1-3H3
InChIKeyUCMBYSKRQNRMQH-UHFFFAOYSA-N
XLogP-0.28
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(dimethylamino)-2-oxoethyl] 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate with MolForge

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Related Compounds

3-[4-(2-Ethoxyethyl)-3-methylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53607179
3-(Dimethylamino)propyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
CID 58135804
[2-(Dimethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate
CID 58135806
2-Morpholin-4-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
CID 58135807
[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-Piperidin-1-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
CID 58135840
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
3-(2-Oxopiperidin-1-yl)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate
CID 58135851
(2-Oxo-2-piperidin-1-ylethyl) 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate
CID 58135856
(2-Oxo-2-piperidin-1-ylethyl) 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
CID 58135881

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate (CID 58135830) is [2-(dimethylamino)-2-oxoethyl] 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate is CN1CCN(C2CCN(CCC(=O)OCC(=O)N(C)C)CC2)CC1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate?
The InChIKey is UCMBYSKRQNRMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-18(2)16(22)14-24-17(23)6-9-20-7-4-15(5-8-20)21-12-10-19(3)11-13-21/h15H,4-14H2,1-3H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate?
[2-(dimethylamino)-2-oxoethyl] 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate has a molecular weight of 340.47 g/mol, XLogP of -0.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate is sourced from PubChem (CID 58135830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).