3-(3-methoxyphenyl)-1-piperidin-1-ylprop-2-yn-1-one

C15H17NO2 — CID 134965190

IUPAC3-(3-methoxyphenyl)-1-piperidin-1-ylprop-2-yn-1-one
SMILESCOc1cccc(C#CC(=O)N2CCCCC2)c1
InChIInChI=1S/C15H17NO2/c1-18-14-7-5-6-13(12-14)8-9-15(17)16-10-3-2-4-11-16/h5-7,12H,2-4,10-11H2,1H3
InChIKeyJMBWYABMOMAMRC-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.06
Rot. Bonds1

About 3-(3-methoxyphenyl)-1-piperidin-1-ylprop-2-yn-1-one

3-(3-methoxyphenyl)-1-piperidin-1-ylprop-2-yn-1-one (PubChem CID 134965190) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-piperidin-1-ylprop-2-yn-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-piperidin-1-ylprop-2-yn-1-one
PubChem CID134965190
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-(3-methoxyphenyl)-1-piperidin-1-ylprop-2-yn-1-one
SMILESCOc1cccc(C#CC(=O)N2CCCCC2)c1
InChIInChI=1S/C15H17NO2/c1-18-14-7-5-6-13(12-14)8-9-15(17)16-10-3-2-4-11-16/h5-7,12H,2-4,10-11H2,1H3
InChIKeyJMBWYABMOMAMRC-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[2-[2-(3-methoxyphenyl)ethynyl]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 58227454
1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
CID 122144748
N-(3-methoxybenzoyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 18587488
(E)-3-(3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 35550966
5-(3-methoxyphenyl)pent-4-ynoic acid
CID 83700907
2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one
CID 43083385
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
methanol;N-(3-methoxyphenyl)-1,6-diazecane-1-carboxamide;2-phenylethynylbenzene
CID 144843117
1-ethynyl-3-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 25117715
5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one
CID 56974731
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-piperidin-1-ylprop-2-yn-1-one?
The IUPAC name of 3-(3-methoxyphenyl)-1-piperidin-1-ylprop-2-yn-1-one (CID 134965190) is 3-(3-methoxyphenyl)-1-piperidin-1-ylprop-2-yn-1-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-piperidin-1-ylprop-2-yn-1-one?
The canonical SMILES for 3-(3-methoxyphenyl)-1-piperidin-1-ylprop-2-yn-1-one is COc1cccc(C#CC(=O)N2CCCCC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-piperidin-1-ylprop-2-yn-1-one?
The InChIKey is JMBWYABMOMAMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-18-14-7-5-6-13(12-14)8-9-15(17)16-10-3-2-4-11-16/h5-7,12H,2-4,10-11H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-1-piperidin-1-ylprop-2-yn-1-one?
3-(3-methoxyphenyl)-1-piperidin-1-ylprop-2-yn-1-one has a molecular weight of 243.31 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-piperidin-1-ylprop-2-yn-1-one is sourced from PubChem (CID 134965190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).