1-[2-[2-(hydroxymethyl)azepan-1-yl]ethyl]pyridin-2-one

C14H22N2O2 — CID 116637566

IUPAC1-[2-[2-(hydroxymethyl)azepan-1-yl]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCN1CCCCCC1CO
InChIInChI=1S/C14H22N2O2/c17-12-13-6-2-1-4-8-15(13)10-11-16-9-5-3-7-14(16)18/h3,5,7,9,13,17H,1-2,4,6,8,10-12H2
InChIKeyCMEFPETZUDFDJA-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.09
Rot. Bonds4

About 1-[2-[2-(hydroxymethyl)azepan-1-yl]ethyl]pyridin-2-one

1-[2-[2-(hydroxymethyl)azepan-1-yl]ethyl]pyridin-2-one (PubChem CID 116637566) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2-[2-(hydroxymethyl)azepan-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-(hydroxymethyl)azepan-1-yl]ethyl]pyridin-2-one
PubChem CID116637566
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[2-[2-(hydroxymethyl)azepan-1-yl]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCN1CCCCCC1CO
InChIInChI=1S/C14H22N2O2/c17-12-13-6-2-1-4-8-15(13)10-11-16-9-5-3-7-14(16)18/h3,5,7,9,13,17H,1-2,4,6,8,10-12H2
InChIKeyCMEFPETZUDFDJA-UHFFFAOYSA-N
XLogP1.09
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[2-(hydroxymethyl)azepan-1-yl]ethyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Amino-1-(9-hydroxynonan-4-yl)pyridin-2-one
CID 137449786
1-[2-[2-(Hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 78917330
1-[2-[2-(3-Hydroxypropyl)pyrrolidin-1-yl]ethyl]pyridin-2-one
CID 78942284
1-[2-[2-(2-Hydroxyethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 78953725
1-[2-[Cyclohexyl(2-hydroxyethyl)amino]ethyl]pyridin-2-one
CID 78954452
6-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
CID 102126800
1-[2-[(2-Hydroxycyclohexyl)-methylamino]ethyl]pyridin-2-one
CID 102636461
1-[2-(Hydroxymethyl)azepan-1-yl]hexa-2,4-dien-1-one
CID 104891624
4-[2-(hydroxymethyl)azepane-1-carbonyl]-1H-pyridin-2-one
CID 108105661
6-[2-(hydroxymethyl)azepane-1-carbonyl]-1H-pyridin-2-one
CID 108109039
1-[2-[2-(3-Hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 109988495
1-[2-[(2-Hydroxycycloheptyl)amino]ethyl]pyridin-2-one
CID 113394711

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(hydroxymethyl)azepan-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[2-(hydroxymethyl)azepan-1-yl]ethyl]pyridin-2-one (CID 116637566) is 1-[2-[2-(hydroxymethyl)azepan-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[2-(hydroxymethyl)azepan-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[2-(hydroxymethyl)azepan-1-yl]ethyl]pyridin-2-one is O=c1ccccn1CCN1CCCCCC1CO.
What is the InChIKey of 1-[2-[2-(hydroxymethyl)azepan-1-yl]ethyl]pyridin-2-one?
The InChIKey is CMEFPETZUDFDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c17-12-13-6-2-1-4-8-15(13)10-11-16-9-5-3-7-14(16)18/h3,5,7,9,13,17H,1-2,4,6,8,10-12H2.
What are the key properties of 1-[2-[2-(hydroxymethyl)azepan-1-yl]ethyl]pyridin-2-one?
1-[2-[2-(hydroxymethyl)azepan-1-yl]ethyl]pyridin-2-one has a molecular weight of 250.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(hydroxymethyl)azepan-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 116637566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).