(2-oxo-2-piperidin-1-ylethyl) 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate

C20H36N4O3 — CID 58135881

IUPAC(2-oxo-2-piperidin-1-ylethyl) 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
SMILESCN1CCN(C2CCN(CCC(=O)OCC(=O)N3CCCCC3)CC2)CC1
InChIInChI=1S/C20H36N4O3/c1-21-13-15-23(16-14-21)18-5-10-22(11-6-18)12-7-20(26)27-17-19(25)24-8-3-2-4-9-24/h18H,2-17H2,1H3
InChIKeyOVLSQZIBRGZIJS-UHFFFAOYSA-N
MW380.53 g/mol
LogP0.64
Rot. Bonds6

About (2-oxo-2-piperidin-1-ylethyl) 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate

(2-oxo-2-piperidin-1-ylethyl) 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate (PubChem CID 58135881) has the molecular formula C20H36N4O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
PubChem CID58135881
Molecular FormulaC20H36N4O3
Molecular Weight380.53 g/mol
Exact Mass380.28
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
SMILESCN1CCN(C2CCN(CCC(=O)OCC(=O)N3CCCCC3)CC2)CC1
InChIInChI=1S/C20H36N4O3/c1-21-13-15-23(16-14-21)18-5-10-22(11-6-18)12-7-20(26)27-17-19(25)24-8-3-2-4-9-24/h18H,2-17H2,1H3
InChIKeyOVLSQZIBRGZIJS-UHFFFAOYSA-N
XLogP0.64
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate (CID 58135881) is (2-oxo-2-piperidin-1-ylethyl) 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate is CN1CCN(C2CCN(CCC(=O)OCC(=O)N3CCCCC3)CC2)CC1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate?
The InChIKey is OVLSQZIBRGZIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O3/c1-21-13-15-23(16-14-21)18-5-10-22(11-6-18)12-7-20(26)27-17-19(25)24-8-3-2-4-9-24/h18H,2-17H2,1H3.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate?
(2-oxo-2-piperidin-1-ylethyl) 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate has a molecular weight of 380.53 g/mol, XLogP of 0.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate is sourced from PubChem (CID 58135881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).