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

C15H22N2O3 — CID 116636217

IUPAC1-[3-[2-(hydroxymethyl)azepan-1-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCCCCC1CO
InChIInChI=1S/C15H22N2O3/c18-12-13-6-2-1-4-10-17(13)15(20)8-11-16-9-5-3-7-14(16)19/h3,5,7,9,13,18H,1-2,4,6,8,10-12H2
InChIKeyPECFAZPNTTUQFU-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.00
Rot. Bonds4

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

1-[3-[2-(hydroxymethyl)azepan-1-yl]-3-oxopropyl]pyridin-2-one (PubChem CID 116636217) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[3-[2-(hydroxymethyl)azepan-1-yl]-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[2-(hydroxymethyl)azepan-1-yl]-3-oxopropyl]pyridin-2-one
PubChem CID116636217
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[3-[2-(hydroxymethyl)azepan-1-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCCCCC1CO
InChIInChI=1S/C15H22N2O3/c18-12-13-6-2-1-4-10-17(13)15(20)8-11-16-9-5-3-7-14(16)19/h3,5,7,9,13,18H,1-2,4,6,8,10-12H2
InChIKeyPECFAZPNTTUQFU-UHFFFAOYSA-N
XLogP1.00
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[2-(hydroxymethyl)azepan-1-yl]-3-oxopropyl]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

1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 66261805
1-[2-[(2S)-2-benzylpiperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 95298452
1-[3-[2-(hydroxymethyl)azepan-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
CID 116636331
1-[3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 95762367
1-[2-(hydroxymethyl)azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 116636366
1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 70747255
4-hydroxy-1-[2-(hydroxymethyl)azepan-1-yl]butan-1-one
CID 116640578
2-[2-(aminomethyl)phenyl]-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634492
3-[3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 43421215
1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione
CID 99929057
1-[2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-2-oxoethyl]pyridin-2-one
CID 97240246
N-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide
CID 78862576

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(hydroxymethyl)azepan-1-yl]-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-[2-(hydroxymethyl)azepan-1-yl]-3-oxopropyl]pyridin-2-one (CID 116636217) is 1-[3-[2-(hydroxymethyl)azepan-1-yl]-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[2-(hydroxymethyl)azepan-1-yl]-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-[2-(hydroxymethyl)azepan-1-yl]-3-oxopropyl]pyridin-2-one is O=C(CCn1ccccc1=O)N1CCCCCC1CO.
What is the InChIKey of 1-[3-[2-(hydroxymethyl)azepan-1-yl]-3-oxopropyl]pyridin-2-one?
The InChIKey is PECFAZPNTTUQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-12-13-6-2-1-4-10-17(13)15(20)8-11-16-9-5-3-7-14(16)19/h3,5,7,9,13,18H,1-2,4,6,8,10-12H2.
What are the key properties of 1-[3-[2-(hydroxymethyl)azepan-1-yl]-3-oxopropyl]pyridin-2-one?
1-[3-[2-(hydroxymethyl)azepan-1-yl]-3-oxopropyl]pyridin-2-one has a molecular weight of 278.35 g/mol, XLogP of 1.00, 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)azepan-1-yl]-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 116636217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).