1-[(4-fluorophenyl)methyl]-3-methyl-6-piperidin-1-yl-1,3-diazinane-2,4-dione

C17H22FN3O2 — CID 166637443

IUPAC1-[(4-fluorophenyl)methyl]-3-methyl-6-piperidin-1-yl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CC(N2CCCCC2)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H22FN3O2/c1-19-16(22)11-15(20-9-3-2-4-10-20)21(17(19)23)12-13-5-7-14(18)8-6-13/h5-8,15H,2-4,9-12H2,1H3
InChIKeyBHNPATQOGUPZDE-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.42
Rot. Bonds3

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

1-[(4-fluorophenyl)methyl]-3-methyl-6-piperidin-1-yl-1,3-diazinane-2,4-dione (PubChem CID 166637443) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-methyl-6-piperidin-1-yl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-methyl-6-piperidin-1-yl-1,3-diazinane-2,4-dione
PubChem CID166637443
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name1-[(4-fluorophenyl)methyl]-3-methyl-6-piperidin-1-yl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CC(N2CCCCC2)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H22FN3O2/c1-19-16(22)11-15(20-9-3-2-4-10-20)21(17(19)23)12-13-5-7-14(18)8-6-13/h5-8,15H,2-4,9-12H2,1H3
InChIKeyBHNPATQOGUPZDE-UHFFFAOYSA-N
XLogP2.42
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetyl-1-benzyl-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione
CID 3814068
1-benzylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 268726
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851900
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
Barbituric acid, 1-benzyl-5,5-diallyl-
CID 48576
(2S)-4-(2,5-difluorophenyl)-N-(1-acetylpiperidin-4-yl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901491
1,3-bis(2-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 2187415
1-Benzyl-3-[6-(3-benzyl-2,4,6-trioxo-1,3-diazinan-1-yl)hexyl]-1,3-diazinane-2,4,6-trione
CID 2818390
1,3-Bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione
CID 49805860
1-Octyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 52937765
N-[(2-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851890
N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851896

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-methyl-6-piperidin-1-yl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-methyl-6-piperidin-1-yl-1,3-diazinane-2,4-dione (CID 166637443) is 1-[(4-fluorophenyl)methyl]-3-methyl-6-piperidin-1-yl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-methyl-6-piperidin-1-yl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-methyl-6-piperidin-1-yl-1,3-diazinane-2,4-dione is CN1C(=O)CC(N2CCCCC2)N(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-methyl-6-piperidin-1-yl-1,3-diazinane-2,4-dione?
The InChIKey is BHNPATQOGUPZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-19-16(22)11-15(20-9-3-2-4-10-20)21(17(19)23)12-13-5-7-14(18)8-6-13/h5-8,15H,2-4,9-12H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-methyl-6-piperidin-1-yl-1,3-diazinane-2,4-dione?
1-[(4-fluorophenyl)methyl]-3-methyl-6-piperidin-1-yl-1,3-diazinane-2,4-dione has a molecular weight of 319.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-methyl-6-piperidin-1-yl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 166637443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).