1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone

C14H20N2O2 — CID 116560870

IUPAC1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone
SMILESCC(C)Oc1cncc(C(=O)CC2CCCN2)c1
InChIInChI=1S/C14H20N2O2/c1-10(2)18-13-6-11(8-15-9-13)14(17)7-12-4-3-5-16-12/h6,8-10,12,16H,3-5,7H2,1-2H3
InChIKeyLNPIZJDMZHDPEY-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.19
Rot. Bonds5

About 1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone

1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone (PubChem CID 116560870) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone
PubChem CID116560870
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone
SMILESCC(C)Oc1cncc(C(=O)CC2CCCN2)c1
InChIInChI=1S/C14H20N2O2/c1-10(2)18-13-6-11(8-15-9-13)14(17)7-12-4-3-5-16-12/h6,8-10,12,16H,3-5,7H2,1-2H3
InChIKeyLNPIZJDMZHDPEY-UHFFFAOYSA-N
XLogP2.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-4-yl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
CID 116559903
1-(5-methyl-3-pyridinyl)-2-pyrrolidin-2-ylethanone
CID 116560896
3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793671
(5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol
CID 106639944
3-piperidin-2-yl-1-(3-propan-2-yloxyphenyl)propan-1-one
CID 116563717
(2-methylcyclopentyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 107187372
1-(5-ethoxy-3-pyridinyl)-2-morpholin-3-ylethanone
CID 116595835
1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide
CID 62919974
1-(3-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylethanone
CID 116586621
(4R)-4-hydroxy-1-(5-propan-2-yloxy-3-pyridinyl)-4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]butan-1-one;dihydrochloride
CID 160722144
2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone
CID 115793367

Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone (CID 116560870) is 1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone is CC(C)Oc1cncc(C(=O)CC2CCCN2)c1.
What is the InChIKey of 1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone?
The InChIKey is LNPIZJDMZHDPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)18-13-6-11(8-15-9-13)14(17)7-12-4-3-5-16-12/h6,8-10,12,16H,3-5,7H2,1-2H3.
What are the key properties of 1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone?
1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone has a molecular weight of 248.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 116560870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).