2-(dimethylamino)ethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate

C18H34N4O3 — CID 58135848

IUPAC2-(dimethylamino)ethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate
SMILESCN(C)CCOC(=O)CCC(=O)N1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C18H34N4O3/c1-19(2)14-15-25-18(24)5-4-17(23)22-12-10-21(11-13-22)16-6-8-20(3)9-7-16/h16H,4-15H2,1-3H3
InChIKeyOZAVGZREKWWNPJ-UHFFFAOYSA-N
MW354.50 g/mol
LogP0.11
Rot. Bonds7

About 2-(dimethylamino)ethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate

2-(dimethylamino)ethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate (PubChem CID 58135848) has the molecular formula C18H34N4O3 and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate
PubChem CID58135848
Molecular FormulaC18H34N4O3
Molecular Weight354.50 g/mol
Exact Mass354.26
IUPAC Name2-(dimethylamino)ethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate
SMILESCN(C)CCOC(=O)CCC(=O)N1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C18H34N4O3/c1-19(2)14-15-25-18(24)5-4-17(23)22-12-10-21(11-13-22)16-6-8-20(3)9-7-16/h16H,4-15H2,1-3H3
InChIKeyOZAVGZREKWWNPJ-UHFFFAOYSA-N
XLogP0.11
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate?
The IUPAC name of 2-(dimethylamino)ethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate (CID 58135848) is 2-(dimethylamino)ethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate?
The canonical SMILES for 2-(dimethylamino)ethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate is CN(C)CCOC(=O)CCC(=O)N1CCN(C2CCN(C)CC2)CC1.
What is the InChIKey of 2-(dimethylamino)ethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate?
The InChIKey is OZAVGZREKWWNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O3/c1-19(2)14-15-25-18(24)5-4-17(23)22-12-10-21(11-13-22)16-6-8-20(3)9-7-16/h16H,4-15H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate?
2-(dimethylamino)ethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate has a molecular weight of 354.50 g/mol, XLogP of 0.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate is sourced from PubChem (CID 58135848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).