3-[(cyclobutylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one

C13H24N2O3 — CID 45243520

IUPAC3-[(cyclobutylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1CCCC(O)(CNC2CCC2)C1=O
InChIInChI=1S/C13H24N2O3/c1-18-9-8-15-7-3-6-13(17,12(15)16)10-14-11-4-2-5-11/h11,14,17H,2-10H2,1H3
InChIKeyFXEWKMMXRZLTNA-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.13
Rot. Bonds6

About 3-[(cyclobutylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one

3-[(cyclobutylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one (PubChem CID 45243520) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(cyclobutylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one.

Molecular Properties

Compound Name3-[(cyclobutylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
PubChem CID45243520
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[(cyclobutylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1CCCC(O)(CNC2CCC2)C1=O
InChIInChI=1S/C13H24N2O3/c1-18-9-8-15-7-3-6-13(17,12(15)16)10-14-11-4-2-5-11/h11,14,17H,2-10H2,1H3
InChIKeyFXEWKMMXRZLTNA-UHFFFAOYSA-N
XLogP0.13
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[(tert-butylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
CID 42557260
N-ethyl-3-hydroxy-1-piperidin-4-ylpiperidine-3-carboxamide
CID 71103716
N-tert-butyl-3-hydroxy-1-piperidin-4-ylpiperidine-3-carboxamide
CID 71103774
3-hydroxy-1-piperidin-4-yl-N-propylpiperidine-3-carboxamide
CID 71104080
3-hydroxy-1-piperidin-4-yl-N-propan-2-ylpiperidine-3-carboxamide
CID 71104082
3-hydroxy-N-methyl-1-piperidin-4-ylpiperidine-3-carboxamide
CID 71104083
N-tert-butyl-3-hydroxypiperidine-3-carboxamide
CID 84669554
N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide
CID 134435204
N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide
CID 134505536
N-(1-ethyl-3-hydroxypiperidin-4-yl)-1-methylcyclobutane-1-carboxamide
CID 134557426
ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide
CID 142326921
(3R)-3-[(tert-butylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
CID 25303708

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclobutylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
The IUPAC name of 3-[(cyclobutylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one (CID 45243520) is 3-[(cyclobutylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one.
What is the SMILES notation for 3-[(cyclobutylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
The canonical SMILES for 3-[(cyclobutylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one is COCCN1CCCC(O)(CNC2CCC2)C1=O.
What is the InChIKey of 3-[(cyclobutylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
The InChIKey is FXEWKMMXRZLTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-18-9-8-15-7-3-6-13(17,12(15)16)10-14-11-4-2-5-11/h11,14,17H,2-10H2,1H3.
What are the key properties of 3-[(cyclobutylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
3-[(cyclobutylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one has a molecular weight of 256.35 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclobutylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one is sourced from PubChem (CID 45243520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).