benzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate

C18H24N2O3 — CID 42426678

IUPACbenzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate
SMILESO=C(C[C@@H]1C(=O)NCCN1C1CCCC1)OCc1ccccc1
InChIInChI=1S/C18H24N2O3/c21-17(23-13-14-6-2-1-3-7-14)12-16-18(22)19-10-11-20(16)15-8-4-5-9-15/h1-3,6-7,15-16H,4-5,8-13H2,(H,19,22)/t16-/m1/s1
InChIKeyPHSWZWFASXLWPK-MRXNPFEDSA-N
MW316.40 g/mol
LogP1.86
Rot. Bonds5

About benzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate

benzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate (PubChem CID 42426678) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is benzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate
PubChem CID42426678
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Namebenzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate
SMILESO=C(C[C@@H]1C(=O)NCCN1C1CCCC1)OCc1ccccc1
InChIInChI=1S/C18H24N2O3/c21-17(23-13-14-6-2-1-3-7-14)12-16-18(22)19-10-11-20(16)15-8-4-5-9-15/h1-3,6-7,15-16H,4-5,8-13H2,(H,19,22)/t16-/m1/s1
InChIKeyPHSWZWFASXLWPK-MRXNPFEDSA-N
XLogP1.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate 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

2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 25375269
N-benzhydryl-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide
CID 42240993
benzyl 2-[1-(acetylcarbamothioyl)-3-oxopiperazin-2-yl]acetate
CID 4927877
benzyl 2-[(2S)-3-oxopiperazin-2-yl]acetate
CID 952327
2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 50984132
benzyl 2-[(2S)-1-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 9297508
benzyl 2-[(2R)-1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 40768017
benzyl 2-[1-[2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 4945449
benzyl 2-[1-[2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 4953360
benzyl 2-[(2R)-1-[(2R)-2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 9236802
benzyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate
CID 4960076
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24791261

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate?
The IUPAC name of benzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate (CID 42426678) is benzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for benzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for benzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate is O=C(C[C@@H]1C(=O)NCCN1C1CCCC1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate?
The InChIKey is PHSWZWFASXLWPK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(23-13-14-6-2-1-3-7-14)12-16-18(22)19-10-11-20(16)15-8-4-5-9-15/h1-3,6-7,15-16H,4-5,8-13H2,(H,19,22)/t16-/m1/s1.
What are the key properties of benzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate?
benzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate has a molecular weight of 316.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 42426678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).