2-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyridazine-3,6-dione

C18H21N3O4 — CID 71899333

IUPAC2-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C18H21N3O4/c22-16-6-7-17(23)21(19-16)12-18(24)20-10-8-15(9-11-20)25-13-14-4-2-1-3-5-14/h1-7,15H,8-13H2,(H,19,22)
InChIKeyAACOCMSOPAGOQF-UHFFFAOYSA-N
MW343.38 g/mol
LogP0.74
Rot. Bonds5

About 2-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyridazine-3,6-dione

2-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyridazine-3,6-dione (PubChem CID 71899333) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyridazine-3,6-dione
PubChem CID71899333
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C18H21N3O4/c22-16-6-7-17(23)21(19-16)12-18(24)20-10-8-15(9-11-20)25-13-14-4-2-1-3-5-14/h1-7,15H,8-13H2,(H,19,22)
InChIKeyAACOCMSOPAGOQF-UHFFFAOYSA-N
XLogP0.74
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 78828531
2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 79612964
3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-diazinane-2,4-dione
CID 30868663
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120672848
5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione
CID 31134282
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
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
2-(4-iodophenoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 55461347

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyridazine-3,6-dione (CID 71899333) is 2-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyridazine-3,6-dione is O=C(Cn1[nH]c(=O)ccc1=O)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of 2-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyridazine-3,6-dione?
The InChIKey is AACOCMSOPAGOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c22-16-6-7-17(23)21(19-16)12-18(24)20-10-8-15(9-11-20)25-13-14-4-2-1-3-5-14/h1-7,15H,8-13H2,(H,19,22).
What are the key properties of 2-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyridazine-3,6-dione?
2-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyridazine-3,6-dione has a molecular weight of 343.38 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 71899333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).