(1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate

C24H29NO2 — CID 117065975

IUPAC(1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate
SMILESO=C(OC1CCN(Cc2ccccc2)C1)C(c1ccccc1)C1CCCC1
InChIInChI=1S/C24H29NO2/c26-24(23(21-13-7-8-14-21)20-11-5-2-6-12-20)27-22-15-16-25(18-22)17-19-9-3-1-4-10-19/h1-6,9-12,21-23H,7-8,13-18H2
InChIKeyLAUAHIVTDOZZLW-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.78
Rot. Bonds6

About (1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate

(1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate (PubChem CID 117065975) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is (1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate.

Molecular Properties

Compound Name(1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate
PubChem CID117065975
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name(1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate
SMILESO=C(OC1CCN(Cc2ccccc2)C1)C(c1ccccc1)C1CCCC1
InChIInChI=1S/C24H29NO2/c26-24(23(21-13-7-8-14-21)20-11-5-2-6-12-20)27-22-15-16-25(18-22)17-19-9-3-1-4-10-19/h1-6,9-12,21-23H,7-8,13-18H2
InChIKeyLAUAHIVTDOZZLW-UHFFFAOYSA-N
XLogP4.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide
CID 68902944
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
[(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate
CID 175027236
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
CID 142714057
2,2,2-trichloroethyl 2-cyclohexyl-2-phenylacetate
CID 132507393
(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide
CID 67518430
[(3R)-1,1-dimethylpyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-phenylacetate bromide
CID 175992940
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
(R)-(1-benzylpiperidin-3-yl)-phenylmethanol
CID 146542509
[(3S)-1-benzylpiperidin-3-yl] butanoate
CID 132566601
1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone
CID 110411985
(1-benzylpiperidin-4-yl) prop-2-enyl carbonate
CID 11242829

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate?
The IUPAC name of (1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate (CID 117065975) is (1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate.
What is the SMILES notation for (1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate?
The canonical SMILES for (1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate is O=C(OC1CCN(Cc2ccccc2)C1)C(c1ccccc1)C1CCCC1.
What is the InChIKey of (1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate?
The InChIKey is LAUAHIVTDOZZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c26-24(23(21-13-7-8-14-21)20-11-5-2-6-12-20)27-22-15-16-25(18-22)17-19-9-3-1-4-10-19/h1-6,9-12,21-23H,7-8,13-18H2.
What are the key properties of (1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate?
(1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate has a molecular weight of 363.50 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate is sourced from PubChem (CID 117065975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).