3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-diazinane-2,4-dione

C18H23N3O4 — CID 30868663

IUPAC3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-diazinane-2,4-dione
SMILESO=C(CN1C(=O)CCNC1=O)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C18H23N3O4/c22-16-6-9-19-18(24)21(16)12-17(23)20-10-7-15(8-11-20)25-13-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,19,24)
InChIKeyBIPOHYSGNJXLQZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.14
Rot. Bonds5

About 3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-diazinane-2,4-dione

3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-diazinane-2,4-dione (PubChem CID 30868663) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-diazinane-2,4-dione
PubChem CID30868663
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-diazinane-2,4-dione
SMILESO=C(CN1C(=O)CCNC1=O)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C18H23N3O4/c22-16-6-9-19-18(24)21(16)12-17(23)20-10-7-15(8-11-20)25-13-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,19,24)
InChIKeyBIPOHYSGNJXLQZ-UHFFFAOYSA-N
XLogP1.14
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyridazine-3,6-dione
CID 71899333
5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione
CID 31134282
2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 78828531
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70744688
1-(4-phenylmethoxypiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride
CID 154906009
4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one
CID 55773001
2-(2-methylindol-1-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 46448492
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone
CID 82016141
3-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
CID 72902809

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-diazinane-2,4-dione (CID 30868663) is 3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-diazinane-2,4-dione is O=C(CN1C(=O)CCNC1=O)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of 3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-diazinane-2,4-dione?
The InChIKey is BIPOHYSGNJXLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c22-16-6-9-19-18(24)21(16)12-17(23)20-10-7-15(8-11-20)25-13-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,19,24).
What are the key properties of 3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-diazinane-2,4-dione?
3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-diazinane-2,4-dione has a molecular weight of 345.40 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 30868663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).