(1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone

C16H23NO3 — CID 116747881

IUPAC(1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)C2(OCC)CCCC2)c1
InChIInChI=1S/C16H23NO3/c1-3-9-19-14-10-13(11-17-12-14)15(18)16(20-4-2)7-5-6-8-16/h10-12H,3-9H2,1-2H3
InChIKeyCXSWFBIQXAMSDK-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.40
Rot. Bonds7

About (1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone

(1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone (PubChem CID 116747881) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone
PubChem CID116747881
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)C2(OCC)CCCC2)c1
InChIInChI=1S/C16H23NO3/c1-3-9-19-14-10-13(11-17-12-14)15(18)16(20-4-2)7-5-6-8-16/h10-12H,3-9H2,1-2H3
InChIKeyCXSWFBIQXAMSDK-UHFFFAOYSA-N
XLogP3.40
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone
CID 116748926
(1-ethoxycyclohexyl)-(5-fluoro-3-pyridinyl)methanone
CID 116748235
(1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone
CID 116749881
2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone
CID 116591204
(4,4-difluorocyclohexyl)-(5-propoxy-3-pyridinyl)methanone
CID 105124282
[1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116602231
(5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone
CID 116750301
2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 103446165
2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
CID 112574299
piperidin-2-yl-(5-propoxy-3-pyridinyl)methanone
CID 116547773
(3,4-dichlorophenyl)-(1-ethoxycycloheptyl)methanone
CID 116750698
(1-ethoxycyclopentyl)-(2-propoxyphenyl)methanone
CID 116747778

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone?
The IUPAC name of (1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone (CID 116747881) is (1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone.
What is the SMILES notation for (1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone?
The canonical SMILES for (1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone is CCCOc1cncc(C(=O)C2(OCC)CCCC2)c1.
What is the InChIKey of (1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone?
The InChIKey is CXSWFBIQXAMSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-9-19-14-10-13(11-17-12-14)15(18)16(20-4-2)7-5-6-8-16/h10-12H,3-9H2,1-2H3.
What are the key properties of (1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone?
(1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone has a molecular weight of 277.36 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone is sourced from PubChem (CID 116747881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).