2-[3-(methylamino)piperidin-1-yl]-N-(oxan-4-yl)acetamide;hydrochloride

C13H26ClN3O2 — CID 119920439

IUPAC2-[3-(methylamino)piperidin-1-yl]-N-(oxan-4-yl)acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)NC2CCOCC2)C1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-14-12-3-2-6-16(9-12)10-13(17)15-11-4-7-18-8-5-11;/h11-12,14H,2-10H2,1H3,(H,15,17);1H
InChIKeyFAJUHFMDBRDYJU-UHFFFAOYSA-N
MW291.82 g/mol
LogP0.39
Rot. Bonds4

About 2-[3-(methylamino)piperidin-1-yl]-N-(oxan-4-yl)acetamide;hydrochloride

2-[3-(methylamino)piperidin-1-yl]-N-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 119920439) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-N-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-N-(oxan-4-yl)acetamide;hydrochloride
PubChem CID119920439
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-N-(oxan-4-yl)acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)NC2CCOCC2)C1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-14-12-3-2-6-16(9-12)10-13(17)15-11-4-7-18-8-5-11;/h11-12,14H,2-10H2,1H3,(H,15,17);1H
InChIKeyFAJUHFMDBRDYJU-UHFFFAOYSA-N
XLogP0.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918786
2-(3-hydroxypiperidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63097682
N-(oxan-4-yl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63241627
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920121
2-[3-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119920243
2-(3-aminoazetidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63760722
N-cyclohexyl-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 62547743
N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905800
N-(2-ethoxyethyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919895
N-cyclohexyl-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107225773
N-[1-[2-(cyclopentylamino)-2-oxoethyl]piperidin-3-yl]cyclobutanecarboxamide
CID 171335040
2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopentylacetamide;hydrochloride
CID 119915633

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-(oxan-4-yl)acetamide;hydrochloride (CID 119920439) is 2-[3-(methylamino)piperidin-1-yl]-N-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-N-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-N-(oxan-4-yl)acetamide;hydrochloride is CNC1CCCN(CC(=O)NC2CCOCC2)C1.Cl.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-N-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is FAJUHFMDBRDYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-14-12-3-2-6-16(9-12)10-13(17)15-11-4-7-18-8-5-11;/h11-12,14H,2-10H2,1H3,(H,15,17);1H.
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-N-(oxan-4-yl)acetamide;hydrochloride?
2-[3-(methylamino)piperidin-1-yl]-N-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)piperidin-1-yl]-N-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 119920439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).