(4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone

C17H21NO2 — CID 121187072

IUPAC(4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(=C3CC3)CC2)cc1C
InChIInChI=1S/C17H21NO2/c1-12-11-15(5-6-16(12)20-2)17(19)18-9-7-14(8-10-18)13-3-4-13/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyFWLGAAKZRIQSKR-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.33
Rot. Bonds2

About (4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone

(4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone (PubChem CID 121187072) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
PubChem CID121187072
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(=C3CC3)CC2)cc1C
InChIInChI=1S/C17H21NO2/c1-12-11-15(5-6-16(12)20-2)17(19)18-9-7-14(8-10-18)13-3-4-13/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyFWLGAAKZRIQSKR-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761022
(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 82480569
(3-fluorophenyl)-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802324
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 110802816
cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone
CID 110801028
(4-methoxy-3-methylphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 110802881
(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95970544
[(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 129462233
4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812267
1-[2-(4-methoxy-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
CID 121342415
4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 155705964
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone?
The IUPAC name of (4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone (CID 121187072) is (4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone.
What is the SMILES notation for (4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone?
The canonical SMILES for (4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone is COc1ccc(C(=O)N2CCC(=C3CC3)CC2)cc1C.
What is the InChIKey of (4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone?
The InChIKey is FWLGAAKZRIQSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-11-15(5-6-16(12)20-2)17(19)18-9-7-14(8-10-18)13-3-4-13/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of (4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone?
(4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone has a molecular weight of 271.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone is sourced from PubChem (CID 121187072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).