2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide

C16H25N3O — CID 63248780

IUPAC2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCNCC1CCN(CC(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C16H25N3O/c1-13-4-3-5-15(10-13)18-16(20)12-19-8-6-14(7-9-19)11-17-2/h3-5,10,14,17H,6-9,11-12H2,1-2H3,(H,18,20)
InChIKeyRTABEUSLYMMTBD-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.86
Rot. Bonds5

About 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide

2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 63248780) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID63248780
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCNCC1CCN(CC(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C16H25N3O/c1-13-4-3-5-15(10-13)18-16(20)12-19-8-6-14(7-9-19)11-17-2/h3-5,10,14,17H,6-9,11-12H2,1-2H3,(H,18,20)
InChIKeyRTABEUSLYMMTBD-UHFFFAOYSA-N
XLogP1.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248697
N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921880
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 119922259
N-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide
CID 171327671
N-(2-bromo-4-methylphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267385
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63848456
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
N-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 55169623
N-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848226
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(3-methylphenyl)acetamide
CID 155981782
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide (CID 63248780) is 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide is CNCC1CCN(CC(=O)Nc2cccc(C)c2)CC1.
What is the InChIKey of 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is RTABEUSLYMMTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-4-3-5-15(10-13)18-16(20)12-19-8-6-14(7-9-19)11-17-2/h3-5,10,14,17H,6-9,11-12H2,1-2H3,(H,18,20).
What are the key properties of 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide?
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 63248780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).