5-(piperidin-1-ylmethyl)-1,3-diazinane-2,4-dione

C10H17N3O2 — CID 78201165

IUPAC5-(piperidin-1-ylmethyl)-1,3-diazinane-2,4-dione
SMILESO=C1NCC(CN2CCCCC2)C(=O)N1
InChIInChI=1S/C10H17N3O2/c14-9-8(6-11-10(15)12-9)7-13-4-2-1-3-5-13/h8H,1-7H2,(H2,11,12,14,15)
InChIKeyOJVHSTJMPZBEDF-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.07
Rot. Bonds2

About 5-(piperidin-1-ylmethyl)-1,3-diazinane-2,4-dione

5-(piperidin-1-ylmethyl)-1,3-diazinane-2,4-dione (PubChem CID 78201165) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-(piperidin-1-ylmethyl)-1,3-diazinane-2,4-dione
PubChem CID78201165
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-(piperidin-1-ylmethyl)-1,3-diazinane-2,4-dione
SMILESO=C1NCC(CN2CCCCC2)C(=O)N1
InChIInChI=1S/C10H17N3O2/c14-9-8(6-11-10(15)12-9)7-13-4-2-1-3-5-13/h8H,1-7H2,(H2,11,12,14,15)
InChIKeyOJVHSTJMPZBEDF-UHFFFAOYSA-N
XLogP-0.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4(3H,5H)-dione
CID 13267
1-Cyclohexyl-5,6-dihydro-2,4(1H,3H)-pyrimidinedione
CID 254245
1-Cyclohexyl-5-methyl-1,3-diazinane-2,4-dione
CID 240107
3-Piperidin-1-yl-N-[(3-piperidin-1-yl-propionylamino)-methyl]-propionamide
CID 649224
N-hexyl-2,4-dioxo-1,3-diazinane-1-carboxamide
CID 71654823
Octahydro-2H-pyrido(1,2-a)pyrimidin-2-one
CID 592977
1-Isobutyl-5-methyldihydro-2,4(1H,3H)-pyrimidinedione
CID 362313
N-(methylcarbamoyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 42946038
N-(methylcarbamoyl)-3-piperidin-1-ylpropanamide
CID 47022218
5-Fluoro-1-(3-oxo-3-piperidin-1-ylpropyl)-1,3-diazinane-2,4,6-trione
CID 104436670
1-(1,3-Dimethylpiperidin-4-yl)-5-fluoro-1,3-diazinane-2,4,6-trione
CID 114507198
5-Fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-diazinane-2,4,6-trione
CID 114517133

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylmethyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 5-(piperidin-1-ylmethyl)-1,3-diazinane-2,4-dione (CID 78201165) is 5-(piperidin-1-ylmethyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-(piperidin-1-ylmethyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-(piperidin-1-ylmethyl)-1,3-diazinane-2,4-dione is O=C1NCC(CN2CCCCC2)C(=O)N1.
What is the InChIKey of 5-(piperidin-1-ylmethyl)-1,3-diazinane-2,4-dione?
The InChIKey is OJVHSTJMPZBEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c14-9-8(6-11-10(15)12-9)7-13-4-2-1-3-5-13/h8H,1-7H2,(H2,11,12,14,15).
What are the key properties of 5-(piperidin-1-ylmethyl)-1,3-diazinane-2,4-dione?
5-(piperidin-1-ylmethyl)-1,3-diazinane-2,4-dione has a molecular weight of 211.26 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 78201165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).