2-(dimethylamino)ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butanoate

C18H36N4O2 — CID 58135818

IUPAC2-(dimethylamino)ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butanoate
SMILESCN(C)CCOC(=O)CCCN1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C18H36N4O2/c1-19(2)15-16-24-18(23)5-4-8-21-9-6-17(7-10-21)22-13-11-20(3)12-14-22/h17H,4-16H2,1-3H3
InChIKeyMQQUUQCAAJJKPJ-UHFFFAOYSA-N
MW340.51 g/mol
LogP0.58
Rot. Bonds8

About 2-(dimethylamino)ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butanoate

2-(dimethylamino)ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butanoate (PubChem CID 58135818) has the molecular formula C18H36N4O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butanoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butanoate
PubChem CID58135818
Molecular FormulaC18H36N4O2
Molecular Weight340.51 g/mol
Exact Mass340.28
IUPAC Name2-(dimethylamino)ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butanoate
SMILESCN(C)CCOC(=O)CCCN1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C18H36N4O2/c1-19(2)15-16-24-18(23)5-4-8-21-9-6-17(7-10-21)22-13-11-20(3)12-14-22/h17H,4-16H2,1-3H3
InChIKeyMQQUUQCAAJJKPJ-UHFFFAOYSA-N
XLogP0.58
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butanoate?
The IUPAC name of 2-(dimethylamino)ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butanoate (CID 58135818) is 2-(dimethylamino)ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butanoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butanoate?
The canonical SMILES for 2-(dimethylamino)ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butanoate is CN(C)CCOC(=O)CCCN1CCC(N2CCN(C)CC2)CC1.
What is the InChIKey of 2-(dimethylamino)ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butanoate?
The InChIKey is MQQUUQCAAJJKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O2/c1-19(2)15-16-24-18(23)5-4-8-21-9-6-17(7-10-21)22-13-11-20(3)12-14-22/h17H,4-16H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butanoate?
2-(dimethylamino)ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butanoate has a molecular weight of 340.51 g/mol, XLogP of 0.58, 8 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-(4-methylpiperazin-1-yl)piperidin-1-yl]butanoate is sourced from PubChem (CID 58135818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).