[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone

C16H20N2O3 — CID 102963984

IUPAC[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2ccncc2C#CCO)CCC1C
InChIInChI=1S/C16H20N2O3/c1-12-6-8-18(11-15(12)21-2)16(20)14-5-7-17-10-13(14)4-3-9-19/h5,7,10,12,15,19H,6,8-9,11H2,1-2H3
InChIKeyKQFMIQZESTVVLS-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.92
Rot. Bonds2

About [3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone

[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone (PubChem CID 102963984) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is [3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
PubChem CID102963984
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2ccncc2C#CCO)CCC1C
InChIInChI=1S/C16H20N2O3/c1-12-6-8-18(11-15(12)21-2)16(20)14-5-7-17-10-13(14)4-3-9-19/h5,7,10,12,15,19H,6,8-9,11H2,1-2H3
InChIKeyKQFMIQZESTVVLS-UHFFFAOYSA-N
XLogP0.92
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.92
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

[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 66482684
(4-hydroxypiperidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone
CID 66483024
[3-(4-hydroxybut-1-ynyl)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 66484039
1-[3-(3-hydroxyprop-1-ynyl)pyridine-4-carbonyl]piperidine-3-carboxamide
CID 66482050
[3-(4-hydroxybut-1-ynyl)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 66483802
[3-(4-hydroxybut-1-ynyl)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 66483025
[3-(3-hydroxyprop-1-ynyl)phenyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102963979
[3-(3-aminoprop-1-ynyl)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
CID 102964074
[3-(4-hydroxybut-1-ynyl)-4-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114799359
[3-(4-hydroxybut-1-ynyl)-4-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66484784
4-[3-(3-hydroxyprop-1-ynyl)pyridine-4-carbonyl]-1-methyl-1,4-diazepan-2-one
CID 102891762
(2,4-dimethylpiperidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone
CID 66484614

Frequently Asked Questions

What is the IUPAC name of [3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone (CID 102963984) is [3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone is COC1CN(C(=O)c2ccncc2C#CCO)CCC1C.
What is the InChIKey of [3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is KQFMIQZESTVVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12-6-8-18(11-15(12)21-2)16(20)14-5-7-17-10-13(14)4-3-9-19/h5,7,10,12,15,19H,6,8-9,11H2,1-2H3.
What are the key properties of [3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone?
[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 288.35 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102963984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).