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

C13H22N2O3 — CID 62024607

IUPAC1-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)CN2CCC(CO)CC2)CC1
InChIInChI=1S/C13H22N2O3/c16-10-11-1-5-14(6-2-11)9-13(18)15-7-3-12(17)4-8-15/h11,16H,1-10H2
InChIKeyBULCGGBNRAHSOW-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.12
Rot. Bonds3

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

1-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]piperidin-4-one (PubChem CID 62024607) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]piperidin-4-one
PubChem CID62024607
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)CN2CCC(CO)CC2)CC1
InChIInChI=1S/C13H22N2O3/c16-10-11-1-5-14(6-2-11)9-13(18)15-7-3-12(17)4-8-15/h11,16H,1-10H2
InChIKeyBULCGGBNRAHSOW-UHFFFAOYSA-N
XLogP-0.12
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-(hydroxymethyl)piperidin-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-[2-(4-ethylpiperidin-1-yl)acetyl]piperidin-4-one
CID 61421544
4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylic acid
CID 175244751
1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperidin-4-one
CID 55209746
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60768713
1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one
CID 43229392
1-[[4-(hydroxymethyl)cyclohexyl]methyl]piperidin-4-one
CID 172590869
1-[2-(1,4-oxazepan-4-yl)acetyl]piperidin-4-one
CID 55153337
1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 54878752
2-[4-(hydroxymethyl)piperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 110899410
ethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 156799298
1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one
CID 62371576
2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513680

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]piperidin-4-one?
The IUPAC name of 1-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]piperidin-4-one (CID 62024607) is 1-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]piperidin-4-one is O=C1CCN(C(=O)CN2CCC(CO)CC2)CC1.
What is the InChIKey of 1-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]piperidin-4-one?
The InChIKey is BULCGGBNRAHSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-10-11-1-5-14(6-2-11)9-13(18)15-7-3-12(17)4-8-15/h11,16H,1-10H2.
What are the key properties of 1-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]piperidin-4-one?
1-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]piperidin-4-one has a molecular weight of 254.33 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]piperidin-4-one is sourced from PubChem (CID 62024607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).