N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide

C16H25N3O — CID 63249994

IUPACN-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
SMILESCNCC1CCCCN1CC(=O)NCc1ccccc1
InChIInChI=1S/C16H25N3O/c1-17-12-15-9-5-6-10-19(15)13-16(20)18-11-14-7-3-2-4-8-14/h2-4,7-8,15,17H,5-6,9-13H2,1H3,(H,18,20)
InChIKeyHPGXIYSWDXLGNL-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.38
Rot. Bonds6

About N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide

N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide (PubChem CID 63249994) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
PubChem CID63249994
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
SMILESCNCC1CCCCN1CC(=O)NCc1ccccc1
InChIInChI=1S/C16H25N3O/c1-17-12-15-9-5-6-10-19(15)13-16(20)18-11-14-7-3-2-4-8-14/h2-4,7-8,15,17H,5-6,9-13H2,1H3,(H,18,20)
InChIKeyHPGXIYSWDXLGNL-UHFFFAOYSA-N
XLogP1.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119928642
N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79547063
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride
CID 119927076
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide
CID 11930936
2-[2-(methylaminomethyl)piperidin-1-yl]-N-(1-phenylethyl)acetamide
CID 63250347
N-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
CID 100842720
N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267740
(2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 75482539
2-[2-(methylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63250032
N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250351
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 87012423
2-[2-(hydroxymethyl)piperidin-1-yl]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 110898937

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide (CID 63249994) is N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide is CNCC1CCCCN1CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide?
The InChIKey is HPGXIYSWDXLGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-17-12-15-9-5-6-10-19(15)13-16(20)18-11-14-7-3-2-4-8-14/h2-4,7-8,15,17H,5-6,9-13H2,1H3,(H,18,20).
What are the key properties of N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide?
N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 63249994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).