(4-cyclopropylidenepiperidin-1-yl)-(3-pyridin-2-yloxyphenyl)methanone

C20H20N2O2 — CID 121187049

IUPAC(4-cyclopropylidenepiperidin-1-yl)-(3-pyridin-2-yloxyphenyl)methanone
SMILESO=C(c1cccc(Oc2ccccn2)c1)N1CCC(=C2CC2)CC1
InChIInChI=1S/C20H20N2O2/c23-20(22-12-9-16(10-13-22)15-7-8-15)17-4-3-5-18(14-17)24-19-6-1-2-11-21-19/h1-6,11,14H,7-10,12-13H2
InChIKeyNNLMTKBZNMIAAC-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.20
Rot. Bonds3

About (4-cyclopropylidenepiperidin-1-yl)-(3-pyridin-2-yloxyphenyl)methanone

(4-cyclopropylidenepiperidin-1-yl)-(3-pyridin-2-yloxyphenyl)methanone (PubChem CID 121187049) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (4-cyclopropylidenepiperidin-1-yl)-(3-pyridin-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(4-cyclopropylidenepiperidin-1-yl)-(3-pyridin-2-yloxyphenyl)methanone
PubChem CID121187049
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(4-cyclopropylidenepiperidin-1-yl)-(3-pyridin-2-yloxyphenyl)methanone
SMILESO=C(c1cccc(Oc2ccccn2)c1)N1CCC(=C2CC2)CC1
InChIInChI=1S/C20H20N2O2/c23-20(22-12-9-16(10-13-22)15-7-8-15)17-4-3-5-18(14-17)24-19-6-1-2-11-21-19/h1-6,11,14H,7-10,12-13H2
InChIKeyNNLMTKBZNMIAAC-UHFFFAOYSA-N
XLogP4.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.20
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

[4-(3-chlorophenyl)piperazin-1-yl]-(3-pyridin-2-yloxyphenyl)methanone
CID 90596721
(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyridin-2-yloxyphenyl)methanone
CID 90596810
(2,6-dimethylmorpholin-4-yl)-(3-pyridin-2-yloxyphenyl)methanone
CID 90596689
3-[1-(3-pyridin-2-yloxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017262
1,6-dimethyl-4-(3-pyridin-2-yloxybenzoyl)piperazin-2-one
CID 146137380
(3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 5137959
3,4-dihydro-1H-isoquinolin-2-yl-(3-pyrimidin-2-yloxyphenyl)methanone
CID 162661158
[3-(2-hydroxyethyl)morpholin-4-yl]-(3-pyridin-2-yloxyphenyl)methanone
CID 136557337
N-methyl-N-(1-methylpiperidin-4-yl)-3-pyridin-2-yloxybenzamide
CID 90596724
N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yloxybenzamide
CID 90596546
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
(3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride
CID 119482802

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylidenepiperidin-1-yl)-(3-pyridin-2-yloxyphenyl)methanone?
The IUPAC name of (4-cyclopropylidenepiperidin-1-yl)-(3-pyridin-2-yloxyphenyl)methanone (CID 121187049) is (4-cyclopropylidenepiperidin-1-yl)-(3-pyridin-2-yloxyphenyl)methanone.
What is the SMILES notation for (4-cyclopropylidenepiperidin-1-yl)-(3-pyridin-2-yloxyphenyl)methanone?
The canonical SMILES for (4-cyclopropylidenepiperidin-1-yl)-(3-pyridin-2-yloxyphenyl)methanone is O=C(c1cccc(Oc2ccccn2)c1)N1CCC(=C2CC2)CC1.
What is the InChIKey of (4-cyclopropylidenepiperidin-1-yl)-(3-pyridin-2-yloxyphenyl)methanone?
The InChIKey is NNLMTKBZNMIAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-20(22-12-9-16(10-13-22)15-7-8-15)17-4-3-5-18(14-17)24-19-6-1-2-11-21-19/h1-6,11,14H,7-10,12-13H2.
What are the key properties of (4-cyclopropylidenepiperidin-1-yl)-(3-pyridin-2-yloxyphenyl)methanone?
(4-cyclopropylidenepiperidin-1-yl)-(3-pyridin-2-yloxyphenyl)methanone has a molecular weight of 320.39 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylidenepiperidin-1-yl)-(3-pyridin-2-yloxyphenyl)methanone is sourced from PubChem (CID 121187049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).