ethyl (2R)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pentanoate

C18H33N3O3 — CID 95353154

IUPACethyl (2R)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pentanoate
SMILESCCC[C@H](C(=O)OCC)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H33N3O3/c1-3-8-16(18(23)24-4-2)20-13-11-19(12-14-20)15-17(22)21-9-6-5-7-10-21/h16H,3-15H2,1-2H3/t16-/m1/s1
InChIKeyBVUMYFGFRVXGHO-MRXNPFEDSA-N
MW339.48 g/mol
LogP1.35
Rot. Bonds7

About ethyl (2R)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pentanoate

ethyl (2R)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pentanoate (PubChem CID 95353154) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is ethyl (2R)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pentanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pentanoate
PubChem CID95353154
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Nameethyl (2R)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pentanoate
SMILESCCC[C@H](C(=O)OCC)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H33N3O3/c1-3-8-16(18(23)24-4-2)20-13-11-19(12-14-20)15-17(22)21-9-6-5-7-10-21/h16H,3-15H2,1-2H3/t16-/m1/s1
InChIKeyBVUMYFGFRVXGHO-MRXNPFEDSA-N
XLogP1.35
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl (2R)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pentanoate with MolForge

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Related Compounds

ethyl 2-(4-methylpiperazin-1-yl)pentanoate
CID 78964984
ethyl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoate
CID 78964972
ethyl 4-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]sulfonylpiperazine-1-carboxylate
CID 55860149
2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 20613836
ethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate
CID 78964155
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 62309888
ethyl 2-thiomorpholin-4-ylpentanoate
CID 78964920
ethyl 2-(4-methylsulfonylpiperazin-1-yl)pentanoate
CID 78964963
diethyl (2S)-2-pyrrolidin-1-ylbutanedioate
CID 7060753
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile
CID 63339094
ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate
CID 95346550
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62310681

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pentanoate?
The IUPAC name of ethyl (2R)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pentanoate (CID 95353154) is ethyl (2R)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pentanoate.
What is the SMILES notation for ethyl (2R)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pentanoate?
The canonical SMILES for ethyl (2R)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pentanoate is CCC[C@H](C(=O)OCC)N1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of ethyl (2R)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pentanoate?
The InChIKey is BVUMYFGFRVXGHO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-3-8-16(18(23)24-4-2)20-13-11-19(12-14-20)15-17(22)21-9-6-5-7-10-21/h16H,3-15H2,1-2H3/t16-/m1/s1.
What are the key properties of ethyl (2R)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pentanoate?
ethyl (2R)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pentanoate has a molecular weight of 339.48 g/mol, XLogP of 1.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pentanoate is sourced from PubChem (CID 95353154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).