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

C14H20N2O3 — CID 43429951

IUPAC1-[3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCCCC1CO
InChIInChI=1S/C14H20N2O3/c17-11-12-5-1-4-9-16(12)14(19)7-10-15-8-3-2-6-13(15)18/h2-3,6,8,12,17H,1,4-5,7,9-11H2
InChIKeyMZONGJFFGOIAEQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.61
Rot. Bonds4

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

1-[3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one (PubChem CID 43429951) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
PubChem CID43429951
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCCCC1CO
InChIInChI=1S/C14H20N2O3/c17-11-12-5-1-4-9-16(12)14(19)7-10-15-8-3-2-6-13(15)18/h2-3,6,8,12,17H,1,4-5,7,9-11H2
InChIKeyMZONGJFFGOIAEQ-UHFFFAOYSA-N
XLogP0.61
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-Hydroxyethyl)piperidin-4-yl]-2-oxopyridine-3-carboxamide
CID 176274910
1-[3-(2-Oxo-1-pyridinyl)propanoyl]piperidine-2-carboxylic acid
CID 43171086
5-Amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]propyl]pyridin-2-one
CID 43259597
4-[2-(Hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 43421075
(2E,4E)-1-[2-(hydroxymethyl)piperidin-1-yl]hexa-2,4-dien-1-one
CID 43421579
3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 43421645
1-[3-(3-Hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 43427929
1-[3-(4-Hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 43427931
N-(2-hydroxycyclohexyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 55064317
5-Amino-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 55118392
5-Amino-1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 61406763
5-Amino-1-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one
CID 61406805

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one (CID 43429951) is 1-[3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one is O=C(CCn1ccccc1=O)N1CCCCC1CO.
What is the InChIKey of 1-[3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The InChIKey is MZONGJFFGOIAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-11-12-5-1-4-9-16(12)14(19)7-10-15-8-3-2-6-13(15)18/h2-3,6,8,12,17H,1,4-5,7,9-11H2.
What are the key properties of 1-[3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
1-[3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one has a molecular weight of 264.32 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 43429951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).