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

C18H32N4O4 — CID 58135915

IUPAC[2-(dimethylamino)-2-oxoethyl] 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate
SMILESCN1CCN(C2CCN(C(=O)CCC(=O)OCC(=O)N(C)C)CC2)CC1
InChIInChI=1S/C18H32N4O4/c1-19(2)17(24)14-26-18(25)5-4-16(23)22-8-6-15(7-9-22)21-12-10-20(3)11-13-21/h15H,4-14H2,1-3H3
InChIKeyNZAIFTQUDWMKAG-UHFFFAOYSA-N
MW368.48 g/mol
LogP-0.36
Rot. Bonds6

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

[2-(dimethylamino)-2-oxoethyl] 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate (PubChem CID 58135915) has the molecular formula C18H32N4O4 and a molecular weight of 368.48 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate
PubChem CID58135915
Molecular FormulaC18H32N4O4
Molecular Weight368.48 g/mol
Exact Mass368.24
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate
SMILESCN1CCN(C2CCN(C(=O)CCC(=O)OCC(=O)N(C)C)CC2)CC1
InChIInChI=1S/C18H32N4O4/c1-19(2)17(24)14-26-18(25)5-4-16(23)22-8-6-15(7-9-22)21-12-10-20(3)11-13-21/h15H,4-14H2,1-3H3
InChIKeyNZAIFTQUDWMKAG-UHFFFAOYSA-N
XLogP-0.36
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate (CID 58135915) is [2-(dimethylamino)-2-oxoethyl] 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate is CN1CCN(C2CCN(C(=O)CCC(=O)OCC(=O)N(C)C)CC2)CC1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate?
The InChIKey is NZAIFTQUDWMKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O4/c1-19(2)17(24)14-26-18(25)5-4-16(23)22-8-6-15(7-9-22)21-12-10-20(3)11-13-21/h15H,4-14H2,1-3H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate?
[2-(dimethylamino)-2-oxoethyl] 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate has a molecular weight of 368.48 g/mol, XLogP of -0.36, 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] 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate is sourced from PubChem (CID 58135915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).