2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide

C18H29N3O — CID 119925950

IUPAC2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CN2CCCC(C)C2CN)c1
InChIInChI=1S/C18H29N3O/c1-13(2)15-7-4-8-16(10-15)20-18(22)12-21-9-5-6-14(3)17(21)11-19/h4,7-8,10,13-14,17H,5-6,9,11-12,19H2,1-3H3,(H,20,22)
InChIKeyLNMCYQYKDVVSTC-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.81
Rot. Bonds5

About 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide

2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 119925950) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
PubChem CID119925950
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CN2CCCC(C)C2CN)c1
InChIInChI=1S/C18H29N3O/c1-13(2)15-7-4-8-16(10-15)20-18(22)12-21-9-5-6-14(3)17(21)11-19/h4,7-8,10,13-14,17H,5-6,9,11-12,19H2,1-3H3,(H,20,22)
InChIKeyLNMCYQYKDVVSTC-UHFFFAOYSA-N
XLogP2.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]pyrrolidine-2-carboxylic acid
CID 43441925
2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 102784771
2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 62654256
2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 61295961
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide
CID 119926046
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride
CID 119925971
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 114394898
N-cyclopropyl-2-[4-[2-oxo-2-(3-propan-2-ylanilino)ethyl]piperazin-1-yl]acetamide
CID 30670633
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 60768456
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
CID 119927202
2-[(3R)-3-methylpiperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 104975859
2-(3-methylpiperidin-2-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 107147526

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide (CID 119925950) is 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide is CC(C)c1cccc(NC(=O)CN2CCCC(C)C2CN)c1.
What is the InChIKey of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is LNMCYQYKDVVSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-13(2)15-7-4-8-16(10-15)20-18(22)12-21-9-5-6-14(3)17(21)11-19/h4,7-8,10,13-14,17H,5-6,9,11-12,19H2,1-3H3,(H,20,22).
What are the key properties of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 303.45 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 119925950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).