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

C13H18N2O3 — CID 43427929

IUPAC1-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCCC(O)C1
InChIInChI=1S/C13H18N2O3/c16-11-4-3-8-15(10-11)13(18)6-9-14-7-2-1-5-12(14)17/h1-2,5,7,11,16H,3-4,6,8-10H2
InChIKeyXDOVPZQBRDJPSH-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.22
Rot. Bonds3

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

1-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one (PubChem CID 43427929) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one
PubChem CID43427929
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCCC(O)C1
InChIInChI=1S/C13H18N2O3/c16-11-4-3-8-15(10-11)13(18)6-9-14-7-2-1-5-12(14)17/h1-2,5,7,11,16H,3-4,6,8-10H2
InChIKeyXDOVPZQBRDJPSH-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-(3-{3-[(dimethylamino)methyl]-3-hydroxy-1-piperidinyl}-3-oxopropyl)-2(1H)-pyridinone
CID 56893462
1-[(3S,4S)-3-hydroxy-1-methylpiperidin-4-yl]-4-methylpyridin-2-one
CID 54488109
1-[2-(4-Hydroxypiperidin-1-yl)ethyl]pyridin-2-one
CID 78986301
1-(2-Hydroxypentyl)pyridin-2-one
CID 13929807
(2E,4E)-1-(3-hydroxypiperidin-1-yl)hexa-2,4-dien-1-one
CID 43416823
4-(3-Hydroxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 43417269
3-(3-Hydroxypiperidine-1-carbonyl)-1,2-dihydropyridin-2-one
CID 43417520
1-[3-[4-(2-Hydroxyethyl)piperazin-1-yl]-3-oxopropyl]pyridin-2-one
CID 43427927
1-[3-(4-Hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 43427931
1-[3-[2-(Hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 43429951

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one (CID 43427929) is 1-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one is O=C(CCn1ccccc1=O)N1CCCC(O)C1.
What is the InChIKey of 1-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one?
The InChIKey is XDOVPZQBRDJPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-11-4-3-8-15(10-11)13(18)6-9-14-7-2-1-5-12(14)17/h1-2,5,7,11,16H,3-4,6,8-10H2.
What are the key properties of 1-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one?
1-[3-(3-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-(3-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 43427929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).