3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one

C15H21NO2 — CID 115793861

IUPAC3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one
SMILESCCOc1cncc(C(=O)CCC2CCCC2)c1
InChIInChI=1S/C15H21NO2/c1-2-18-14-9-13(10-16-11-14)15(17)8-7-12-5-3-4-6-12/h9-12H,2-8H2,1H3
InChIKeyNXCLWZMZRFIUNV-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.63
Rot. Bonds6

About 3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one

3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one (PubChem CID 115793861) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one
PubChem CID115793861
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one
SMILESCCOc1cncc(C(=O)CCC2CCCC2)c1
InChIInChI=1S/C15H21NO2/c1-2-18-14-9-13(10-16-11-14)15(17)8-7-12-5-3-4-6-12/h9-12H,2-8H2,1H3
InChIKeyNXCLWZMZRFIUNV-UHFFFAOYSA-N
XLogP3.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethoxy-3-pyridinyl)heptan-1-one
CID 115793819
2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone
CID 116555212
2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone
CID 115793367
(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone
CID 107187365
(5-ethoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105124093
2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone
CID 116709078
(2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone
CID 116607379
(5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone
CID 103450649
3-cyclopropyl-1-pyrimidin-5-ylpropan-1-one
CID 102923156
3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one
CID 116612385
1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566547
2-(1,4-diazepan-1-yl)-1-(5-ethoxy-3-pyridinyl)ethanone
CID 116565638

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one (CID 115793861) is 3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one is CCOc1cncc(C(=O)CCC2CCCC2)c1.
What is the InChIKey of 3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one?
The InChIKey is NXCLWZMZRFIUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-18-14-9-13(10-16-11-14)15(17)8-7-12-5-3-4-6-12/h9-12H,2-8H2,1H3.
What are the key properties of 3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one?
3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one is sourced from PubChem (CID 115793861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).