2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate

C19H34N4O3 — CID 58135973

IUPAC2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
SMILESCN1CCN(C2CCN(CC(=O)OCCN3CCCCC3=O)CC2)CC1
InChIInChI=1S/C19H34N4O3/c1-20-10-12-22(13-11-20)17-5-8-21(9-6-17)16-19(25)26-15-14-23-7-3-2-4-18(23)24/h17H,2-16H2,1H3
InChIKeyVJDOMXWYXAYFOV-UHFFFAOYSA-N
MW366.51 g/mol
LogP0.25
Rot. Bonds6

About 2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate

2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate (PubChem CID 58135973) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate.

Molecular Properties

Compound Name2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
PubChem CID58135973
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC Name2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
SMILESCN1CCN(C2CCN(CC(=O)OCCN3CCCCC3=O)CC2)CC1
InChIInChI=1S/C19H34N4O3/c1-20-10-12-22(13-11-20)17-5-8-21(9-6-17)16-19(25)26-15-14-23-7-3-2-4-18(23)24/h17H,2-16H2,1H3
InChIKeyVJDOMXWYXAYFOV-UHFFFAOYSA-N
XLogP0.25
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
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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Related Compounds

3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
CID 58136099
2-(dimethylamino)ethyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate
CID 58136141
2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate
CID 58135935
methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate
CID 69424198
3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate
CID 55401507
3-(dimethylamino)propyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate
CID 58135977
(2-oxopyrrolidin-1-yl) 2-(4-methylpiperazin-1-yl)acetate
CID 86058728
butyl 2-(4-cyclopentylpiperazin-1-yl)acetate
CID 55024857
2-(2-oxopyrrolidin-1-yl)ethyl carbamate
CID 118350046
ethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
CID 142367954
6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one
CID 544111
butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate
CID 55159559

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate?
The IUPAC name of 2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate (CID 58135973) is 2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate.
What is the SMILES notation for 2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate?
The canonical SMILES for 2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate is CN1CCN(C2CCN(CC(=O)OCCN3CCCCC3=O)CC2)CC1.
What is the InChIKey of 2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate?
The InChIKey is VJDOMXWYXAYFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-20-10-12-22(13-11-20)17-5-8-21(9-6-17)16-19(25)26-15-14-23-7-3-2-4-18(23)24/h17H,2-16H2,1H3.
What are the key properties of 2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate?
2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate has a molecular weight of 366.51 g/mol, XLogP of 0.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate is sourced from PubChem (CID 58135973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).