4-[3-(3-hydroxyprop-1-ynyl)pyridine-2-carbonyl]-1-methylpiperazin-2-one

C14H15N3O3 — CID 107522681

IUPAC4-[3-(3-hydroxyprop-1-ynyl)pyridine-2-carbonyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2ncccc2C#CCO)CC1=O
InChIInChI=1S/C14H15N3O3/c1-16-7-8-17(10-12(16)19)14(20)13-11(5-3-9-18)4-2-6-15-13/h2,4,6,18H,7-10H2,1H3
InChIKeyPWTIZQXFOHYGBG-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.66
Rot. Bonds1

About 4-[3-(3-hydroxyprop-1-ynyl)pyridine-2-carbonyl]-1-methylpiperazin-2-one

4-[3-(3-hydroxyprop-1-ynyl)pyridine-2-carbonyl]-1-methylpiperazin-2-one (PubChem CID 107522681) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[3-(3-hydroxyprop-1-ynyl)pyridine-2-carbonyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-(3-hydroxyprop-1-ynyl)pyridine-2-carbonyl]-1-methylpiperazin-2-one
PubChem CID107522681
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-[3-(3-hydroxyprop-1-ynyl)pyridine-2-carbonyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2ncccc2C#CCO)CC1=O
InChIInChI=1S/C14H15N3O3/c1-16-7-8-17(10-12(16)19)14(20)13-11(5-3-9-18)4-2-6-15-13/h2,4,6,18H,7-10H2,1H3
InChIKeyPWTIZQXFOHYGBG-UHFFFAOYSA-N
XLogP-0.66
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.66
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

4-[3-(3-hydroxyprop-1-ynyl)pyridine-2-carbonyl]-1-methyl-1,4-diazepan-2-one
CID 107523333
(3,4-dihydroxypyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107523358
(3,3-dimethylpyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107522862
(3-hydroxy-4-methylpiperidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107523336
4-[4-fluoro-2-(3-hydroxyprop-1-ynyl)benzoyl]-1-methylpiperazin-2-one
CID 64693088
4-[3-(3-hydroxyprop-1-ynyl)pyridine-4-carbonyl]-1-methyl-1,4-diazepan-2-one
CID 102891762
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107522944
[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107523372
(2-ethylpiperidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107521415
4-[5-(3-hydroxyprop-1-ynyl)-2-methylbenzoyl]-1-methylpiperazin-2-one
CID 65311302
3-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 107521646
[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 107522754

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-hydroxyprop-1-ynyl)pyridine-2-carbonyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[3-(3-hydroxyprop-1-ynyl)pyridine-2-carbonyl]-1-methylpiperazin-2-one (CID 107522681) is 4-[3-(3-hydroxyprop-1-ynyl)pyridine-2-carbonyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[3-(3-hydroxyprop-1-ynyl)pyridine-2-carbonyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[3-(3-hydroxyprop-1-ynyl)pyridine-2-carbonyl]-1-methylpiperazin-2-one is CN1CCN(C(=O)c2ncccc2C#CCO)CC1=O.
What is the InChIKey of 4-[3-(3-hydroxyprop-1-ynyl)pyridine-2-carbonyl]-1-methylpiperazin-2-one?
The InChIKey is PWTIZQXFOHYGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-16-7-8-17(10-12(16)19)14(20)13-11(5-3-9-18)4-2-6-15-13/h2,4,6,18H,7-10H2,1H3.
What are the key properties of 4-[3-(3-hydroxyprop-1-ynyl)pyridine-2-carbonyl]-1-methylpiperazin-2-one?
4-[3-(3-hydroxyprop-1-ynyl)pyridine-2-carbonyl]-1-methylpiperazin-2-one has a molecular weight of 273.29 g/mol, XLogP of -0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-hydroxyprop-1-ynyl)pyridine-2-carbonyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 107522681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).