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

C19H34N4O3 — CID 58135884

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
SMILESCN1CCN(C2CCN(CC(=O)OCC(=O)N3CCCCC3)CC2)CC1
InChIInChI=1S/C19H34N4O3/c1-20-11-13-22(14-12-20)17-5-9-21(10-6-17)15-19(25)26-16-18(24)23-7-3-2-4-8-23/h17H,2-16H2,1H3
InChIKeyWTSJTZYGQHCOAE-UHFFFAOYSA-N
MW366.51 g/mol
LogP0.25
Rot. Bonds5

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

(2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate (PubChem CID 58135884) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
PubChem CID58135884
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
SMILESCN1CCN(C2CCN(CC(=O)OCC(=O)N3CCCCC3)CC2)CC1
InChIInChI=1S/C19H34N4O3/c1-20-11-13-22(14-12-20)17-5-9-21(10-6-17)15-19(25)26-16-18(24)23-7-3-2-4-8-23/h17H,2-16H2,1H3
InChIKeyWTSJTZYGQHCOAE-UHFFFAOYSA-N
XLogP0.25
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 50.25
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) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate (CID 58135884) is (2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate is CN1CCN(C2CCN(CC(=O)OCC(=O)N3CCCCC3)CC2)CC1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate?
The InChIKey is WTSJTZYGQHCOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-20-11-13-22(14-12-20)17-5-9-21(10-6-17)15-19(25)26-16-18(24)23-7-3-2-4-8-23/h17H,2-16H2,1H3.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate?
(2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate has a molecular weight of 366.51 g/mol, XLogP of 0.25, 5 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) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate is sourced from PubChem (CID 58135884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).