3-pyridin-3-ylpropyl 3-cyclopentylpropanoate

C16H23NO2 — CID 78842165

IUPAC3-pyridin-3-ylpropyl 3-cyclopentylpropanoate
SMILESO=C(CCC1CCCC1)OCCCc1cccnc1
InChIInChI=1S/C16H23NO2/c18-16(10-9-14-5-1-2-6-14)19-12-4-8-15-7-3-11-17-13-15/h3,7,11,13-14H,1-2,4-6,8-10,12H2
InChIKeyYJNGXLVJNYKGPT-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.53
Rot. Bonds7

About 3-pyridin-3-ylpropyl 3-cyclopentylpropanoate

3-pyridin-3-ylpropyl 3-cyclopentylpropanoate (PubChem CID 78842165) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-pyridin-3-ylpropyl 3-cyclopentylpropanoate.

Molecular Properties

Compound Name3-pyridin-3-ylpropyl 3-cyclopentylpropanoate
PubChem CID78842165
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-pyridin-3-ylpropyl 3-cyclopentylpropanoate
SMILESO=C(CCC1CCCC1)OCCCc1cccnc1
InChIInChI=1S/C16H23NO2/c18-16(10-9-14-5-1-2-6-14)19-12-4-8-15-7-3-11-17-13-15/h3,7,11,13-14H,1-2,4-6,8-10,12H2
InChIKeyYJNGXLVJNYKGPT-UHFFFAOYSA-N
XLogP3.53
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-pyridin-3-ylpropyl 2-cyclohexylacetate
CID 78842305
2-phenylethyl 3-cyclopentylpropanoate
CID 568730
3-pyridin-3-ylpropyl hydrogen carbonate
CID 154111868
3-(2-cyclobutylethyl)pyridine
CID 57204476
3-pyridin-3-ylpropyl 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 78772685
3-pyridin-3-ylpropyl 2-(2-methoxyethoxy)acetate
CID 78831559
3-(3-pyridin-3-ylpropoxy)propanoic acid
CID 21282788
3-pyridin-3-ylpropyl 3-[4-(difluoromethoxy)phenyl]propanoate
CID 78848148
bis(3-pyridin-3-ylpropyl) 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 67694201
2-[2-[2-(3-cyclohexylpropanoyloxy)ethoxy]phenoxy]ethyl 3-cyclohexylpropanoate
CID 160894187
3-pyridin-3-ylpropyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 78772613
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-ylpropyl 3-cyclopentylpropanoate?
The IUPAC name of 3-pyridin-3-ylpropyl 3-cyclopentylpropanoate (CID 78842165) is 3-pyridin-3-ylpropyl 3-cyclopentylpropanoate.
What is the SMILES notation for 3-pyridin-3-ylpropyl 3-cyclopentylpropanoate?
The canonical SMILES for 3-pyridin-3-ylpropyl 3-cyclopentylpropanoate is O=C(CCC1CCCC1)OCCCc1cccnc1.
What is the InChIKey of 3-pyridin-3-ylpropyl 3-cyclopentylpropanoate?
The InChIKey is YJNGXLVJNYKGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c18-16(10-9-14-5-1-2-6-14)19-12-4-8-15-7-3-11-17-13-15/h3,7,11,13-14H,1-2,4-6,8-10,12H2.
What are the key properties of 3-pyridin-3-ylpropyl 3-cyclopentylpropanoate?
3-pyridin-3-ylpropyl 3-cyclopentylpropanoate has a molecular weight of 261.36 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-ylpropyl 3-cyclopentylpropanoate is sourced from PubChem (CID 78842165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).