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

C17H27N3O — CID 63250347

IUPAC2-[2-(methylaminomethyl)piperidin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCNCC1CCCCN1CC(=O)NC(C)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-14(15-8-4-3-5-9-15)19-17(21)13-20-11-7-6-10-16(20)12-18-2/h3-5,8-9,14,16,18H,6-7,10-13H2,1-2H3,(H,19,21)
InChIKeyWROHEDYWIFGTFQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.94
Rot. Bonds6

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

2-[2-(methylaminomethyl)piperidin-1-yl]-N-(1-phenylethyl)acetamide (PubChem CID 63250347) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)piperidin-1-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)piperidin-1-yl]-N-(1-phenylethyl)acetamide
PubChem CID63250347
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[2-(methylaminomethyl)piperidin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCNCC1CCCCN1CC(=O)NC(C)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-14(15-8-4-3-5-9-15)19-17(21)13-20-11-7-6-10-16(20)12-18-2/h3-5,8-9,14,16,18H,6-7,10-13H2,1-2H3,(H,19,21)
InChIKeyWROHEDYWIFGTFQ-UHFFFAOYSA-N
XLogP1.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidine-2-carboxamide
CID 41075375
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119928547
N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249994
2-[2-(methylaminomethyl)piperidin-1-yl]-1-phenylethanol
CID 55169694
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 111490245
N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250351
(2R)-2-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide
CID 129419077
2-methyl-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 79370399
N-(1-phenylethyl)-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 56542180
2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 98482252
2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 63855304
N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490988

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)piperidin-1-yl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[2-(methylaminomethyl)piperidin-1-yl]-N-(1-phenylethyl)acetamide (CID 63250347) is 2-[2-(methylaminomethyl)piperidin-1-yl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-(methylaminomethyl)piperidin-1-yl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[2-(methylaminomethyl)piperidin-1-yl]-N-(1-phenylethyl)acetamide is CNCC1CCCCN1CC(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-[2-(methylaminomethyl)piperidin-1-yl]-N-(1-phenylethyl)acetamide?
The InChIKey is WROHEDYWIFGTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(15-8-4-3-5-9-15)19-17(21)13-20-11-7-6-10-16(20)12-18-2/h3-5,8-9,14,16,18H,6-7,10-13H2,1-2H3,(H,19,21).
What are the key properties of 2-[2-(methylaminomethyl)piperidin-1-yl]-N-(1-phenylethyl)acetamide?
2-[2-(methylaminomethyl)piperidin-1-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)piperidin-1-yl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 63250347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).