3-pyridin-4-ylpropyl cyclopentanecarboxylate

C14H19NO2 — CID 78842260

IUPAC3-pyridin-4-ylpropyl cyclopentanecarboxylate
SMILESO=C(OCCCc1ccncc1)C1CCCC1
InChIInChI=1S/C14H19NO2/c16-14(13-5-1-2-6-13)17-11-3-4-12-7-9-15-10-8-12/h7-10,13H,1-6,11H2
InChIKeyOSEVHKHNOUXDDY-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.75
Rot. Bonds5

About 3-pyridin-4-ylpropyl cyclopentanecarboxylate

3-pyridin-4-ylpropyl cyclopentanecarboxylate (PubChem CID 78842260) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-pyridin-4-ylpropyl cyclopentanecarboxylate.

Molecular Properties

Compound Name3-pyridin-4-ylpropyl cyclopentanecarboxylate
PubChem CID78842260
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-pyridin-4-ylpropyl cyclopentanecarboxylate
SMILESO=C(OCCCc1ccncc1)C1CCCC1
InChIInChI=1S/C14H19NO2/c16-14(13-5-1-2-6-13)17-11-3-4-12-7-9-15-10-8-12/h7-10,13H,1-6,11H2
InChIKeyOSEVHKHNOUXDDY-UHFFFAOYSA-N
XLogP2.75
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.75
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

bis(3-phenylpropyl) cyclohexane-1,4-dicarboxylate
CID 71382772
3-pyridin-4-ylpropyl 1-(benzenesulfonyl)piperidine-2-carboxylate
CID 78772226
3-pyridin-4-ylpropyl 4-(cyclopropanecarbonylamino)butanoate
CID 60554630
2-(4-pentylphenoxy)ethyl cyclohexanecarboxylate
CID 23271959
1-cyclopentyl-2-pyridin-4-ylethanone
CID 62551395
3-pyridin-4-ylpropyl pentanoate
CID 78842155
3-bromopropyl cyclopentanecarboxylate
CID 10776091
3-pyridin-4-ylpropyl 4-bromobenzoate
CID 52893750
bis(5-phenylpentyl) cyclohexane-1,2-dicarboxylate
CID 174219135
ethyl 1-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoacetyl]piperidine-4-carboxylate
CID 108504238
N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide
CID 56782285
4-(3-pyridin-4-ylpropoxy)cyclohexan-1-amine
CID 62807608

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-ylpropyl cyclopentanecarboxylate?
The IUPAC name of 3-pyridin-4-ylpropyl cyclopentanecarboxylate (CID 78842260) is 3-pyridin-4-ylpropyl cyclopentanecarboxylate.
What is the SMILES notation for 3-pyridin-4-ylpropyl cyclopentanecarboxylate?
The canonical SMILES for 3-pyridin-4-ylpropyl cyclopentanecarboxylate is O=C(OCCCc1ccncc1)C1CCCC1.
What is the InChIKey of 3-pyridin-4-ylpropyl cyclopentanecarboxylate?
The InChIKey is OSEVHKHNOUXDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14(13-5-1-2-6-13)17-11-3-4-12-7-9-15-10-8-12/h7-10,13H,1-6,11H2.
What are the key properties of 3-pyridin-4-ylpropyl cyclopentanecarboxylate?
3-pyridin-4-ylpropyl cyclopentanecarboxylate has a molecular weight of 233.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-ylpropyl cyclopentanecarboxylate is sourced from PubChem (CID 78842260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).