6-[(3-hydroxypiperidin-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4-dione

C12H21N3O3 — CID 75129196

IUPAC6-[(3-hydroxypiperidin-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CC(CN2CCCC(O)C2)N(C)C1=O
InChIInChI=1S/C12H21N3O3/c1-13-9(6-11(17)14(2)12(13)18)7-15-5-3-4-10(16)8-15/h9-10,16H,3-8H2,1-2H3
InChIKeyYOKANCWUUYEKLF-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.27
Rot. Bonds2

About 6-[(3-hydroxypiperidin-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4-dione

6-[(3-hydroxypiperidin-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4-dione (PubChem CID 75129196) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-[(3-hydroxypiperidin-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-[(3-hydroxypiperidin-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4-dione
PubChem CID75129196
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name6-[(3-hydroxypiperidin-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CC(CN2CCCC(O)C2)N(C)C1=O
InChIInChI=1S/C12H21N3O3/c1-13-9(6-11(17)14(2)12(13)18)7-15-5-3-4-10(16)8-15/h9-10,16H,3-8H2,1-2H3
InChIKeyYOKANCWUUYEKLF-UHFFFAOYSA-N
XLogP-0.27
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-ol
CID 127014895
1-[(3-hydroxypiperidin-1-yl)methyl]pyrrolidin-2-one
CID 12996911
1-(2-hydrazinylethyl)piperidin-3-ol
CID 130124439
1-(chloromethyl)piperidin-3-ol
CID 53403087
2-(3-hydroxypiperidin-1-yl)acetaldehyde
CID 62035044
1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-ol
CID 60689916
(3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol
CID 107225929
2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 107225809
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 129488572
4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile
CID 107225980
tert-butyl 2-(3-hydroxypiperidin-1-yl)acetate
CID 60689789
(3S)-1-(3-aminopropyl)piperidin-3-ol
CID 7183117

Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxypiperidin-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-[(3-hydroxypiperidin-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4-dione (CID 75129196) is 6-[(3-hydroxypiperidin-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-[(3-hydroxypiperidin-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-[(3-hydroxypiperidin-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4-dione is CN1C(=O)CC(CN2CCCC(O)C2)N(C)C1=O.
What is the InChIKey of 6-[(3-hydroxypiperidin-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4-dione?
The InChIKey is YOKANCWUUYEKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-13-9(6-11(17)14(2)12(13)18)7-15-5-3-4-10(16)8-15/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 6-[(3-hydroxypiperidin-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4-dione?
6-[(3-hydroxypiperidin-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4-dione has a molecular weight of 255.32 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxypiperidin-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 75129196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).