4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one

C18H23N3O4 — CID 45241287

IUPAC4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
SMILESCOc1cccc(CN2CC(C(=O)N3CCNC(=O)C3)CCC2=O)c1
InChIInChI=1S/C18H23N3O4/c1-25-15-4-2-3-13(9-15)10-21-11-14(5-6-17(21)23)18(24)20-8-7-19-16(22)12-20/h2-4,9,14H,5-8,10-12H2,1H3,(H,19,22)
InChIKeyLPXSSAGBTJSJME-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.39
Rot. Bonds4

About 4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one

4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one (PubChem CID 45241287) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
PubChem CID45241287
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
SMILESCOc1cccc(CN2CC(C(=O)N3CCNC(=O)C3)CCC2=O)c1
InChIInChI=1S/C18H23N3O4/c1-25-15-4-2-3-13(9-15)10-21-11-14(5-6-17(21)23)18(24)20-8-7-19-16(22)12-20/h2-4,9,14H,5-8,10-12H2,1H3,(H,19,22)
InChIKeyLPXSSAGBTJSJME-UHFFFAOYSA-N
XLogP0.39
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 24790814
(5S)-1-[(3-methoxyphenyl)methyl]-5-(4-pyridin-3-yloxypiperidine-1-carbonyl)piperidin-2-one
CID 42532806
4-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 26331597
1-[(3-methoxyphenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one
CID 45222993
1-[1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1,4-diazepan-5-one
CID 72899093
(3-methoxyphenyl)methyl 3-oxopiperazine-1-carboxylate
CID 167465187
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 93017942
1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 45192902
1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one
CID 118771406

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one?
The IUPAC name of 4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one (CID 45241287) is 4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one is COc1cccc(CN2CC(C(=O)N3CCNC(=O)C3)CCC2=O)c1.
What is the InChIKey of 4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one?
The InChIKey is LPXSSAGBTJSJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-25-15-4-2-3-13(9-15)10-21-11-14(5-6-17(21)23)18(24)20-8-7-19-16(22)12-20/h2-4,9,14H,5-8,10-12H2,1H3,(H,19,22).
What are the key properties of 4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one?
4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one has a molecular weight of 345.40 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 45241287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).