[4-(1-hydroxyethyl)piperidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]methanone

C16H20N2O3 — CID 106837183

IUPAC[4-(1-hydroxyethyl)piperidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]methanone
SMILESCC(O)C1CCN(C(=O)c2cncc(C#CCO)c2)CC1
InChIInChI=1S/C16H20N2O3/c1-12(20)14-4-6-18(7-5-14)16(21)15-9-13(3-2-8-19)10-17-11-15/h9-12,14,19-20H,4-8H2,1H3
InChIKeyWDPXWMPXFGTBKU-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.66
Rot. Bonds2

About [4-(1-hydroxyethyl)piperidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]methanone

[4-(1-hydroxyethyl)piperidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]methanone (PubChem CID 106837183) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is [4-(1-hydroxyethyl)piperidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(1-hydroxyethyl)piperidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]methanone
PubChem CID106837183
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name[4-(1-hydroxyethyl)piperidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]methanone
SMILESCC(O)C1CCN(C(=O)c2cncc(C#CCO)c2)CC1
InChIInChI=1S/C16H20N2O3/c1-12(20)14-4-6-18(7-5-14)16(21)15-9-13(3-2-8-19)10-17-11-15/h9-12,14,19-20H,4-8H2,1H3
InChIKeyWDPXWMPXFGTBKU-UHFFFAOYSA-N
XLogP0.66
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-(3-aminoprop-1-ynyl)-3-pyridinyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837192
(4-hydroxy-4-methylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]methanone
CID 81108090
[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63615088
1,3-dihydroisoindol-2-yl-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]methanone
CID 62230536
4-[5-(3-hydroxyprop-1-ynyl)pyridine-3-carbonyl]-1-methyl-1,4-diazepan-2-one
CID 102891749
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 112625849
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711801
[5-(3-aminoprop-1-ynyl)-3-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114799401
N-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide
CID 54974844
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 106839194
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 113238255
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 54975093

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]methanone?
The IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]methanone (CID 106837183) is [4-(1-hydroxyethyl)piperidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(1-hydroxyethyl)piperidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]methanone?
The canonical SMILES for [4-(1-hydroxyethyl)piperidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]methanone is CC(O)C1CCN(C(=O)c2cncc(C#CCO)c2)CC1.
What is the InChIKey of [4-(1-hydroxyethyl)piperidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]methanone?
The InChIKey is WDPXWMPXFGTBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12(20)14-4-6-18(7-5-14)16(21)15-9-13(3-2-8-19)10-17-11-15/h9-12,14,19-20H,4-8H2,1H3.
What are the key properties of [4-(1-hydroxyethyl)piperidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]methanone?
[4-(1-hydroxyethyl)piperidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]methanone has a molecular weight of 288.35 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxyethyl)piperidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]methanone is sourced from PubChem (CID 106837183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).