methyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate

C19H26N2O3 — CID 95335169

IUPACmethyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate
SMILESCOC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C19H26N2O3/c1-24-19(23)17(15-7-3-2-4-8-15)20-11-13-21(14-12-20)18(22)16-9-5-6-10-16/h2-4,7-8,16-17H,5-6,9-14H2,1H3/t17-/m1/s1
InChIKeyMSAOOUDZNLUDOI-QGZVFWFLSA-N
MW330.43 g/mol
LogP2.24
Rot. Bonds4

About methyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate

methyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate (PubChem CID 95335169) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is methyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate
PubChem CID95335169
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Namemethyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate
SMILESCOC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C19H26N2O3/c1-24-19(23)17(15-7-3-2-4-8-15)20-11-13-21(14-12-20)18(22)16-9-5-6-10-16/h2-4,7-8,16-17H,5-6,9-14H2,1H3/t17-/m1/s1
InChIKeyMSAOOUDZNLUDOI-QGZVFWFLSA-N
XLogP2.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid
CID 22353154
methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17477999
cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 113073983
methyl 2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetate
CID 146045375
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone
CID 108533858
N,N-diethyl-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 55469592
[1-(cyclohexanecarbonyl)piperidin-4-yl] 2,2-diphenylacetate
CID 67886001
methyl 2-(2-chlorophenyl)-2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetate
CID 55491828
2-benzhydryloxy-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone
CID 36512164
ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 34292601
(2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 9361176

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate (CID 95335169) is methyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate is COC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of methyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate?
The InChIKey is MSAOOUDZNLUDOI-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-24-19(23)17(15-7-3-2-4-8-15)20-11-13-21(14-12-20)18(22)16-9-5-6-10-16/h2-4,7-8,16-17H,5-6,9-14H2,1H3/t17-/m1/s1.
What are the key properties of methyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate?
methyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate has a molecular weight of 330.43 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate is sourced from PubChem (CID 95335169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).