N-[4-(aminomethyl)phenyl]-2-(4-propan-2-ylpiperidin-1-yl)acetamide

C17H27N3O — CID 103494265

IUPACN-[4-(aminomethyl)phenyl]-2-(4-propan-2-ylpiperidin-1-yl)acetamide
SMILESCC(C)C1CCN(CC(=O)Nc2ccc(CN)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-13(2)15-7-9-20(10-8-15)12-17(21)19-16-5-3-14(11-18)4-6-16/h3-6,13,15H,7-12,18H2,1-2H3,(H,19,21)
InChIKeyMLFXJPAVGSXBNN-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.45
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-2-(4-propan-2-ylpiperidin-1-yl)acetamide

N-[4-(aminomethyl)phenyl]-2-(4-propan-2-ylpiperidin-1-yl)acetamide (PubChem CID 103494265) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-(4-propan-2-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-(4-propan-2-ylpiperidin-1-yl)acetamide
PubChem CID103494265
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[4-(aminomethyl)phenyl]-2-(4-propan-2-ylpiperidin-1-yl)acetamide
SMILESCC(C)C1CCN(CC(=O)Nc2ccc(CN)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-13(2)15-7-9-20(10-8-15)12-17(21)19-16-5-3-14(11-18)4-6-16/h3-6,13,15H,7-12,18H2,1-2H3,(H,19,21)
InChIKeyMLFXJPAVGSXBNN-UHFFFAOYSA-N
XLogP2.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246107
N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 16779543
N-[4-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide
CID 65283923
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 112630158
N-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111113960
N-[4-(aminomethyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266257
N-(3-amino-2-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505272
2-(4-hydroxypiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39902284
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 119927919
2-(4-acetamidopiperidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 3220742
N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16786515
N-(4-acetamidophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2697828

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-(4-propan-2-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-(4-propan-2-ylpiperidin-1-yl)acetamide (CID 103494265) is N-[4-(aminomethyl)phenyl]-2-(4-propan-2-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-(4-propan-2-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-(4-propan-2-ylpiperidin-1-yl)acetamide is CC(C)C1CCN(CC(=O)Nc2ccc(CN)cc2)CC1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-(4-propan-2-ylpiperidin-1-yl)acetamide?
The InChIKey is MLFXJPAVGSXBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)15-7-9-20(10-8-15)12-17(21)19-16-5-3-14(11-18)4-6-16/h3-6,13,15H,7-12,18H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-(4-propan-2-ylpiperidin-1-yl)acetamide?
N-[4-(aminomethyl)phenyl]-2-(4-propan-2-ylpiperidin-1-yl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-(4-propan-2-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 103494265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).