1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperidin-4-one

C12H20N2O3 — CID 55209746

IUPAC1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)CN2CCCC2CO)CC1
InChIInChI=1S/C12H20N2O3/c15-9-10-2-1-5-14(10)8-12(17)13-6-3-11(16)4-7-13/h10,15H,1-9H2
InChIKeyXTERBVQPEUUNRM-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.37
Rot. Bonds3

About 1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperidin-4-one

1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperidin-4-one (PubChem CID 55209746) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperidin-4-one
PubChem CID55209746
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)CN2CCCC2CO)CC1
InChIInChI=1S/C12H20N2O3/c15-9-10-2-1-5-14(10)8-12(17)13-6-3-11(16)4-7-13/h10,15H,1-9H2
InChIKeyXTERBVQPEUUNRM-UHFFFAOYSA-N
XLogP-0.37
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperidin-4-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-(azepan-1-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62013945
2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 111753132
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 14799157
1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one
CID 78942549
1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 110921480
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone
CID 82505741
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 62015912
2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684574
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 110921397
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119926984
2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513680
1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one
CID 43229392

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperidin-4-one?
The IUPAC name of 1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperidin-4-one (CID 55209746) is 1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperidin-4-one is O=C1CCN(C(=O)CN2CCCC2CO)CC1.
What is the InChIKey of 1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperidin-4-one?
The InChIKey is XTERBVQPEUUNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-9-10-2-1-5-14(10)8-12(17)13-6-3-11(16)4-7-13/h10,15H,1-9H2.
What are the key properties of 1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperidin-4-one?
1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperidin-4-one has a molecular weight of 240.30 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperidin-4-one is sourced from PubChem (CID 55209746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).