(4-cyclopropylidenepiperidin-1-yl)-[6-(2-methylpropoxy)-3-pyridinyl]methanone

C18H24N2O2 — CID 121187079

IUPAC(4-cyclopropylidenepiperidin-1-yl)-[6-(2-methylpropoxy)-3-pyridinyl]methanone
SMILESCC(C)COc1ccc(C(=O)N2CCC(=C3CC3)CC2)cn1
InChIInChI=1S/C18H24N2O2/c1-13(2)12-22-17-6-5-16(11-19-17)18(21)20-9-7-15(8-10-20)14-3-4-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3
InChIKeyFGHAYIDYBLWXSR-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.44
Rot. Bonds4

About (4-cyclopropylidenepiperidin-1-yl)-[6-(2-methylpropoxy)-3-pyridinyl]methanone

(4-cyclopropylidenepiperidin-1-yl)-[6-(2-methylpropoxy)-3-pyridinyl]methanone (PubChem CID 121187079) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (4-cyclopropylidenepiperidin-1-yl)-[6-(2-methylpropoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-cyclopropylidenepiperidin-1-yl)-[6-(2-methylpropoxy)-3-pyridinyl]methanone
PubChem CID121187079
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(4-cyclopropylidenepiperidin-1-yl)-[6-(2-methylpropoxy)-3-pyridinyl]methanone
SMILESCC(C)COc1ccc(C(=O)N2CCC(=C3CC3)CC2)cn1
InChIInChI=1S/C18H24N2O2/c1-13(2)12-22-17-6-5-16(11-19-17)18(21)20-9-7-15(8-10-20)14-3-4-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3
InChIKeyFGHAYIDYBLWXSR-UHFFFAOYSA-N
XLogP3.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[7-(2-chlorophenyl)-1,1-dioxo-1,4-thiazepan-4-yl]-[6-(2-methylpropoxy)-3-pyridinyl]methanone
CID 121193027
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-[6-(2-methylpropoxy)-3-pyridinyl]methanone
CID 122268253
[4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 87002326
N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-6-(2-methylpropoxy)pyridine-3-carboxamide
CID 47068402
(4-hydroxypiperidin-1-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 110890106
6-[(2R)-2-hydroxypropoxy]pyridine-3-carboxylic acid
CID 97034220
6-(2-methylpropoxy)pyridine-3-thiol
CID 139458928
6-(2-methylpropoxy)-N-[2-(propanoylamino)ethyl]pyridine-3-carboxamide
CID 142430003
(6-methoxy-3-pyridinyl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185123
N-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 134043905
1-[5-[6-(2,2-difluoroethoxy)pyridine-3-carbonyl]-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]ethanone
CID 126771087
[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 95342710

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylidenepiperidin-1-yl)-[6-(2-methylpropoxy)-3-pyridinyl]methanone?
The IUPAC name of (4-cyclopropylidenepiperidin-1-yl)-[6-(2-methylpropoxy)-3-pyridinyl]methanone (CID 121187079) is (4-cyclopropylidenepiperidin-1-yl)-[6-(2-methylpropoxy)-3-pyridinyl]methanone.
What is the SMILES notation for (4-cyclopropylidenepiperidin-1-yl)-[6-(2-methylpropoxy)-3-pyridinyl]methanone?
The canonical SMILES for (4-cyclopropylidenepiperidin-1-yl)-[6-(2-methylpropoxy)-3-pyridinyl]methanone is CC(C)COc1ccc(C(=O)N2CCC(=C3CC3)CC2)cn1.
What is the InChIKey of (4-cyclopropylidenepiperidin-1-yl)-[6-(2-methylpropoxy)-3-pyridinyl]methanone?
The InChIKey is FGHAYIDYBLWXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(2)12-22-17-6-5-16(11-19-17)18(21)20-9-7-15(8-10-20)14-3-4-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3.
What are the key properties of (4-cyclopropylidenepiperidin-1-yl)-[6-(2-methylpropoxy)-3-pyridinyl]methanone?
(4-cyclopropylidenepiperidin-1-yl)-[6-(2-methylpropoxy)-3-pyridinyl]methanone has a molecular weight of 300.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylidenepiperidin-1-yl)-[6-(2-methylpropoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 121187079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).