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

C15H22N2O3 — CID 62356251

IUPAC1-[3-[3-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCCC(CCO)C1
InChIInChI=1S/C15H22N2O3/c18-11-7-13-4-3-9-17(12-13)15(20)6-10-16-8-2-1-5-14(16)19/h1-2,5,8,13,18H,3-4,6-7,9-12H2
InChIKeyRHUDVQIXFIDPLU-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.86
Rot. Bonds5

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

1-[3-[3-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one (PubChem CID 62356251) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[3-[3-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[3-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
PubChem CID62356251
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[3-[3-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCCC(CCO)C1
InChIInChI=1S/C15H22N2O3/c18-11-7-13-4-3-9-17(12-13)15(20)6-10-16-8-2-1-5-14(16)19/h1-2,5,8,13,18H,3-4,6-7,9-12H2
InChIKeyRHUDVQIXFIDPLU-UHFFFAOYSA-N
XLogP0.86
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(Hydroxymethyl)piperidine-1-carbonyl]-1-methyl-1,2-dihydropyridin-2-one
CID 47003370
1-[3-Oxo-3-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propyl]pyridin-2-one
CID 112329219
5-Amino-1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one
CID 43259674
1-[3-[2-(Hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 43429951
1-[3-[3-(Hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 43430824
3-[4-(Hydroxymethyl)piperidine-1-carbonyl]-1,2-dihydropyridin-2-one
CID 54878359
1-[3-[4-(Hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 54878762
1-{3-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl}pyridin-2(1H)-one
CID 56750445
1-{3-[(3S*,4R*)-3-hydroxy-4-(hydroxymethyl)-1-piperidinyl]-3-oxopropyl}-2(1H)-pyridinone
CID 56901429
5-Bromo-1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 62357949
4-[3-(2-Hydroxyethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 62358122
3-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 62370926

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-[3-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one (CID 62356251) is 1-[3-[3-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[3-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-[3-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one is O=C(CCn1ccccc1=O)N1CCCC(CCO)C1.
What is the InChIKey of 1-[3-[3-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The InChIKey is RHUDVQIXFIDPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-11-7-13-4-3-9-17(12-13)15(20)6-10-16-8-2-1-5-14(16)19/h1-2,5,8,13,18H,3-4,6-7,9-12H2.
What are the key properties of 1-[3-[3-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
1-[3-[3-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one has a molecular weight of 278.35 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 62356251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).