[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone

C15H18N2O3 — CID 102964022

IUPAC[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)c2ccc(C#CCO)cn2)C1
InChIInChI=1S/C15H18N2O3/c1-20-13-5-2-8-17(11-13)15(19)14-7-6-12(10-16-14)4-3-9-18/h6-7,10,13,18H,2,5,8-9,11H2,1H3
InChIKeyPODOVOIFGRNBAH-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.68
Rot. Bonds2

About [5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone

[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone (PubChem CID 102964022) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is [5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
PubChem CID102964022
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)c2ccc(C#CCO)cn2)C1
InChIInChI=1S/C15H18N2O3/c1-20-13-5-2-8-17(11-13)15(19)14-7-6-12(10-16-14)4-3-9-18/h6-7,10,13,18H,2,5,8-9,11H2,1H3
InChIKeyPODOVOIFGRNBAH-UHFFFAOYSA-N
XLogP0.68
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 63627770
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-ethoxypiperidin-1-yl)methanone
CID 62954015
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62954356
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 63625309
4-[5-(3-hydroxyprop-1-ynyl)pyridine-2-carbonyl]-1,4-diazepan-2-one
CID 65363470
(4-ethyl-4-methylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 63161909
6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 103536805
[5-(4-hydroxybut-1-ynyl)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102963953
[5-(4-hydroxybut-1-ynyl)-2-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680682
methyl (3S)-1-(5-chloropyridine-2-carbonyl)piperidine-3-carboxylate
CID 78994553
3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 102964608
(3-methoxypiperidin-1-yl)-[6-(methylamino)pyridazin-3-yl]methanone
CID 102969358

Frequently Asked Questions

What is the IUPAC name of [5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone?
The IUPAC name of [5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone (CID 102964022) is [5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone is COC1CCCN(C(=O)c2ccc(C#CCO)cn2)C1.
What is the InChIKey of [5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone?
The InChIKey is PODOVOIFGRNBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-20-13-5-2-8-17(11-13)15(19)14-7-6-12(10-16-14)4-3-9-18/h6-7,10,13,18H,2,5,8-9,11H2,1H3.
What are the key properties of [5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone?
[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone has a molecular weight of 274.32 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 102964022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).