1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one

C13H18N2O3 — CID 43427931

IUPAC1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCC(O)CC1
InChIInChI=1S/C13H18N2O3/c16-11-4-8-15(9-5-11)13(18)6-10-14-7-2-1-3-12(14)17/h1-3,7,11,16H,4-6,8-10H2
InChIKeyYFMLZUKSYDUOGI-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.22
Rot. Bonds3

About 1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one

1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one (PubChem CID 43427931) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one
PubChem CID43427931
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCC(O)CC1
InChIInChI=1S/C13H18N2O3/c16-11-4-8-15(9-5-11)13(18)6-10-14-7-2-1-3-12(14)17/h1-3,7,11,16H,4-6,8-10H2
InChIKeyYFMLZUKSYDUOGI-UHFFFAOYSA-N
XLogP0.22
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 96533352
1-[3-Oxo-3-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propyl]pyridin-2-one
CID 112329219
1-[2-(4-Hydroxypiperidin-1-yl)ethyl]-3-methylpyridin-2-one
CID 57584091
1-(3-Hydroxypentyl)pyridin-2-one
CID 67894979
(E)-4-(dimethylamino)-1-(4-hydroxypiperidin-1-yl)but-2-en-1-one
CID 68400119
1-[2-(4-Hydroxypiperidin-1-yl)ethyl]pyridin-2-one
CID 78986301
4-(4-Hydroxypiperidin-1-yl)-1-methylpyridin-2-one
CID 130348861
piperidin-4-ol;1H-pyridin-2-one
CID 142400419
5-Amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one
CID 43259546
5-Amino-1-[2-(4-hydroxypiperidin-1-yl)ethyl]pyridin-2-one
CID 43259547
3-(4-Hydroxypiperidine-1-carbonyl)pyridin-2-ol
CID 43391733
(2E,4E)-1-(4-hydroxypiperidin-1-yl)hexa-2,4-dien-1-one
CID 43416827

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one (CID 43427931) is 1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one is O=C(CCn1ccccc1=O)N1CCC(O)CC1.
What is the InChIKey of 1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one?
The InChIKey is YFMLZUKSYDUOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-11-4-8-15(9-5-11)13(18)6-10-14-7-2-1-3-12(14)17/h1-3,7,11,16H,4-6,8-10H2.
What are the key properties of 1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one?
1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 43427931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).