3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-piperidin-4-ylpiperidin-2-one

C17H29N3O3 — CID 54394444

IUPAC3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-piperidin-4-ylpiperidin-2-one
SMILESO=C(CC1CCCN(C2CCNCC2)C1=O)N1CCC(O)CC1
InChIInChI=1S/C17H29N3O3/c21-15-5-10-19(11-6-15)16(22)12-13-2-1-9-20(17(13)23)14-3-7-18-8-4-14/h13-15,18,21H,1-12H2
InChIKeyVIYAEJKBCUAPJF-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.35
Rot. Bonds3

About 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-piperidin-4-ylpiperidin-2-one

3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-piperidin-4-ylpiperidin-2-one (PubChem CID 54394444) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-piperidin-4-ylpiperidin-2-one.

Molecular Properties

Compound Name3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-piperidin-4-ylpiperidin-2-one
PubChem CID54394444
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-piperidin-4-ylpiperidin-2-one
SMILESO=C(CC1CCCN(C2CCNCC2)C1=O)N1CCC(O)CC1
InChIInChI=1S/C17H29N3O3/c21-15-5-10-19(11-6-15)16(22)12-13-2-1-9-20(17(13)23)14-3-7-18-8-4-14/h13-15,18,21H,1-12H2
InChIKeyVIYAEJKBCUAPJF-UHFFFAOYSA-N
XLogP0.35
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(4S)-azepan-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 171359256
3-[2-(4-Hydroxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one
CID 20590488
3-[2-(3-Hydroxyazetidin-1-yl)-2-oxoethyl]-1-piperidin-4-ylpiperidin-2-one
CID 53801312
2-[1-(1-acetylpiperidin-4-yl)-2-oxopiperidin-3-yl]-N-(2-hydroxyethyl)acetamide
CID 54245204
1-(1-Acetylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one
CID 54312875
N-(2-hydroxyethyl)-2-(2-oxo-1-piperidin-4-ylpiperidin-3-yl)acetamide
CID 54434181
N-(2-hydroxyethyl)-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide
CID 141952767
N-(3-hydroxypentyl)-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide
CID 142184370
N-(3-methoxypentyl)-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide
CID 146887789
N-[(3R)-3-hydroxypentyl]-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide
CID 163790814
(4-Hydroxypiperidin-1-yl)-(6-methylpiperidin-3-yl)methanone
CID 24696567
1-(1-Ethylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one
CID 54511977

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-piperidin-4-ylpiperidin-2-one?
The IUPAC name of 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-piperidin-4-ylpiperidin-2-one (CID 54394444) is 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-piperidin-4-ylpiperidin-2-one.
What is the SMILES notation for 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-piperidin-4-ylpiperidin-2-one?
The canonical SMILES for 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-piperidin-4-ylpiperidin-2-one is O=C(CC1CCCN(C2CCNCC2)C1=O)N1CCC(O)CC1.
What is the InChIKey of 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-piperidin-4-ylpiperidin-2-one?
The InChIKey is VIYAEJKBCUAPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c21-15-5-10-19(11-6-15)16(22)12-13-2-1-9-20(17(13)23)14-3-7-18-8-4-14/h13-15,18,21H,1-12H2.
What are the key properties of 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-piperidin-4-ylpiperidin-2-one?
3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-piperidin-4-ylpiperidin-2-one has a molecular weight of 323.44 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-piperidin-4-ylpiperidin-2-one is sourced from PubChem (CID 54394444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).