3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate

C17H34N4O2 — CID 58135794

IUPAC3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate
SMILESCN(C)CCCOC(=O)CN1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C17H34N4O2/c1-18(2)7-4-14-23-17(22)15-20-10-12-21(13-11-20)16-5-8-19(3)9-6-16/h16H,4-15H2,1-3H3
InChIKeyOOIKKCLDYAIWKM-UHFFFAOYSA-N
MW326.49 g/mol
LogP0.19
Rot. Bonds7

About 3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate

3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate (PubChem CID 58135794) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate.

Molecular Properties

Compound Name3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate
PubChem CID58135794
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Name3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate
SMILESCN(C)CCCOC(=O)CN1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C17H34N4O2/c1-18(2)7-4-14-23-17(22)15-20-10-12-21(13-11-20)16-5-8-19(3)9-6-16/h16H,4-15H2,1-3H3
InChIKeyOOIKKCLDYAIWKM-UHFFFAOYSA-N
XLogP0.19
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate?
The IUPAC name of 3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate (CID 58135794) is 3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate.
What is the SMILES notation for 3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate?
The canonical SMILES for 3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate is CN(C)CCCOC(=O)CN1CCN(C2CCN(C)CC2)CC1.
What is the InChIKey of 3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate?
The InChIKey is OOIKKCLDYAIWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-18(2)7-4-14-23-17(22)15-20-10-12-21(13-11-20)16-5-8-19(3)9-6-16/h16H,4-15H2,1-3H3.
What are the key properties of 3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate?
3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate has a molecular weight of 326.49 g/mol, XLogP of 0.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate is sourced from PubChem (CID 58135794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).