1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one

C17H22N2O4 — CID 118771406

IUPAC1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one
SMILESCOc1cccc(CN2CCN(C(=O)C3CCOC3)CC2=O)c1
InChIInChI=1S/C17H22N2O4/c1-22-15-4-2-3-13(9-15)10-18-6-7-19(11-16(18)20)17(21)14-5-8-23-12-14/h2-4,9,14H,5-8,10-12H2,1H3
InChIKeyNERDAVKOWVSIOO-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.90
Rot. Bonds4

About 1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one

1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one (PubChem CID 118771406) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one
PubChem CID118771406
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one
SMILESCOc1cccc(CN2CCN(C(=O)C3CCOC3)CC2=O)c1
InChIInChI=1S/C17H22N2O4/c1-22-15-4-2-3-13(9-15)10-18-6-7-19(11-16(18)20)17(21)14-5-8-23-12-14/h2-4,9,14H,5-8,10-12H2,1H3
InChIKeyNERDAVKOWVSIOO-UHFFFAOYSA-N
XLogP0.90
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carbonyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 133119416
1-[(3-methoxyphenyl)methyl]-6-(oxolane-3-carbonyl)-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 45165138
4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 126423329
(6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one
CID 25306547
4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70753862
4-(2-hydroxy-2-phenylacetyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70714022
4-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propanoyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 133127866
5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 24790814
4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 45241287
4-[(3S)-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 29022609
4-[(3R)-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 29022610
[4-[6-ethyl-5-[(3-methoxyphenyl)methyl]-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 83286476

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one (CID 118771406) is 1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one is COc1cccc(CN2CCN(C(=O)C3CCOC3)CC2=O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one?
The InChIKey is NERDAVKOWVSIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-22-15-4-2-3-13(9-15)10-18-6-7-19(11-16(18)20)17(21)14-5-8-23-12-14/h2-4,9,14H,5-8,10-12H2,1H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one?
1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one has a molecular weight of 318.37 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 118771406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).