ethyl (2R)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pentanoate

C16H28N2O4 — CID 95346669

IUPACethyl (2R)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pentanoate
SMILESCCC[C@H](C(=O)OCC)N1CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C16H28N2O4/c1-3-6-13(16(20)21-4-2)17-8-10-18(11-9-17)15(19)14-7-5-12-22-14/h13-14H,3-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyGDNOZEHRVOFDRY-ZIAGYGMSSA-N
MW312.41 g/mol
LogP1.04
Rot. Bonds6

About ethyl (2R)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pentanoate

ethyl (2R)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pentanoate (PubChem CID 95346669) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is ethyl (2R)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pentanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pentanoate
PubChem CID95346669
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Nameethyl (2R)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pentanoate
SMILESCCC[C@H](C(=O)OCC)N1CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C16H28N2O4/c1-3-6-13(16(20)21-4-2)17-8-10-18(11-9-17)15(19)14-7-5-12-22-14/h13-14H,3-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyGDNOZEHRVOFDRY-ZIAGYGMSSA-N
XLogP1.04
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl (2R)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]pentan-1-one
CID 103793993
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55202925
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584
ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate
CID 95346550
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796627
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
ethyl 2-(4-methylpiperazin-1-yl)pentanoate
CID 78964984
[(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 95627899
ethyl N-[(3R)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]carbamate
CID 94183634
2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone
CID 94150662
1-[4-[1-(oxolane-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 113003827
ethyl 3-methyl-2-(oxolane-2-carbonyl)butanoate
CID 65328489

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pentanoate?
The IUPAC name of ethyl (2R)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pentanoate (CID 95346669) is ethyl (2R)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pentanoate.
What is the SMILES notation for ethyl (2R)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pentanoate?
The canonical SMILES for ethyl (2R)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pentanoate is CCC[C@H](C(=O)OCC)N1CCN(C(=O)[C@H]2CCCO2)CC1.
What is the InChIKey of ethyl (2R)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pentanoate?
The InChIKey is GDNOZEHRVOFDRY-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-3-6-13(16(20)21-4-2)17-8-10-18(11-9-17)15(19)14-7-5-12-22-14/h13-14H,3-12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of ethyl (2R)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pentanoate?
ethyl (2R)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pentanoate has a molecular weight of 312.41 g/mol, XLogP of 1.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pentanoate is sourced from PubChem (CID 95346669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).