1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one

C16H21N3O2 — CID 134793694

IUPAC1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one
SMILESO=C(c1ccccc1)N1CCC(N2CCCNC2=O)CC1
InChIInChI=1S/C16H21N3O2/c20-15(13-5-2-1-3-6-13)18-11-7-14(8-12-18)19-10-4-9-17-16(19)21/h1-3,5-6,14H,4,7-12H2,(H,17,21)
InChIKeyMZIJJTSDZIRTET-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.71
Rot. Bonds2

About 1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one

1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one (PubChem CID 134793694) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one
PubChem CID134793694
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one
SMILESO=C(c1ccccc1)N1CCC(N2CCCNC2=O)CC1
InChIInChI=1S/C16H21N3O2/c20-15(13-5-2-1-3-6-13)18-11-7-14(8-12-18)19-10-4-9-17-16(19)21/h1-3,5-6,14H,4,7-12H2,(H,17,21)
InChIKeyMZIJJTSDZIRTET-UHFFFAOYSA-N
XLogP1.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 134794616
1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 71912055
1-[1-(1-benzothiophene-5-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 136516942
phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164762
1-[1-(4-methoxybenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 134790027
1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 139000199
1-[1-[4-[(1-methylpyrazol-4-yl)methylamino]benzoyl]piperidin-4-yl]-1,3-diazinan-2-one
CID 166253197
1-[1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 56816830
phenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 2822452
1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 103754729
1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]-1,3-diazinan-2-one
CID 129492024
N-(4-chlorophenyl)-4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxamide
CID 134793891

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one?
The IUPAC name of 1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one (CID 134793694) is 1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one is O=C(c1ccccc1)N1CCC(N2CCCNC2=O)CC1.
What is the InChIKey of 1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one?
The InChIKey is MZIJJTSDZIRTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15(13-5-2-1-3-6-13)18-11-7-14(8-12-18)19-10-4-9-17-16(19)21/h1-3,5-6,14H,4,7-12H2,(H,17,21).
What are the key properties of 1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one?
1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one has a molecular weight of 287.36 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one is sourced from PubChem (CID 134793694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).