3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one

C16H22N2O2 — CID 62092299

IUPAC3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one
SMILESCOc1ccc(C2CC(NC3CCCNC3=O)C2)cc1
InChIInChI=1S/C16H22N2O2/c1-20-14-6-4-11(5-7-14)12-9-13(10-12)18-15-3-2-8-17-16(15)19/h4-7,12-13,15,18H,2-3,8-10H2,1H3,(H,17,19)
InChIKeyXJBZAMYWZQOLRI-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.81
Rot. Bonds4

About 3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one

3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one (PubChem CID 62092299) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one.

Molecular Properties

Compound Name3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one
PubChem CID62092299
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one
SMILESCOc1ccc(C2CC(NC3CCCNC3=O)C2)cc1
InChIInChI=1S/C16H22N2O2/c1-20-14-6-4-11(5-7-14)12-9-13(10-12)18-15-3-2-8-17-16(15)19/h4-7,12-13,15,18H,2-3,8-10H2,1H3,(H,17,19)
InChIKeyXJBZAMYWZQOLRI-UHFFFAOYSA-N
XLogP1.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-methoxyphenyl)cyclobutyl]cyclooctanamine
CID 43633186
3-[[3-(3-fluorophenyl)cyclobutyl]amino]piperidin-2-one
CID 62092486
3-[(3,5-dimethylcyclohexyl)amino]piperidin-2-one
CID 64751431
3-[1-(4-methoxyphenyl)ethylamino]piperidin-2-one
CID 62092478
3-[(5-methoxypyrimidin-2-yl)amino]piperidin-2-one
CID 114600542
3-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 55033823
N-[3-(4-methoxyphenyl)cyclobutyl]-1,1-dioxothiolan-3-amine
CID 43632787
3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 62093209
(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one
CID 94827666
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]azepan-2-one
CID 43688046
3-[(4-tert-butylcyclohexyl)amino]piperidin-2-one
CID 62092650
3-[(3-methylcyclohexyl)amino]piperidin-2-one
CID 62092837

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one?
The IUPAC name of 3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one (CID 62092299) is 3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one.
What is the SMILES notation for 3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one?
The canonical SMILES for 3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one is COc1ccc(C2CC(NC3CCCNC3=O)C2)cc1.
What is the InChIKey of 3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one?
The InChIKey is XJBZAMYWZQOLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-14-6-4-11(5-7-14)12-9-13(10-12)18-15-3-2-8-17-16(15)19/h4-7,12-13,15,18H,2-3,8-10H2,1H3,(H,17,19).
What are the key properties of 3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one?
3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one has a molecular weight of 274.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one is sourced from PubChem (CID 62092299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).