2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide

C16H25N3O — CID 61295961

IUPAC2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CN2CCCC(N)C2)c1
InChIInChI=1S/C16H25N3O/c1-12(2)13-5-3-7-15(9-13)18-16(20)11-19-8-4-6-14(17)10-19/h3,5,7,9,12,14H,4,6,8,10-11,17H2,1-2H3,(H,18,20)
InChIKeyGBQFOTTZELJMCT-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.17
Rot. Bonds4

About 2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide

2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 61295961) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
PubChem CID61295961
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CN2CCCC(N)C2)c1
InChIInChI=1S/C16H25N3O/c1-12(2)13-5-3-7-15(9-13)18-16(20)11-19-8-4-6-14(17)10-19/h3,5,7,9,12,14H,4,6,8,10-11,17H2,1-2H3,(H,18,20)
InChIKeyGBQFOTTZELJMCT-UHFFFAOYSA-N
XLogP2.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride
CID 119910140
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 60768456
2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 61297774
N-cyclopropyl-2-[4-[2-oxo-2-(3-propan-2-ylanilino)ethyl]piperazin-1-yl]acetamide
CID 30670633
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119933876
2-(3-aminopiperidin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 61298131
2-[(3R)-3-methylpiperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 104975859
2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43348732
2-piperazin-1-yl-N-(3-propan-2-ylphenyl)acetamide
CID 29009163
1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]pyrrolidine-2-carboxylic acid
CID 43441925
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 114394898
N-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584123

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide (CID 61295961) is 2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide is CC(C)c1cccc(NC(=O)CN2CCCC(N)C2)c1.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is GBQFOTTZELJMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)13-5-3-7-15(9-13)18-16(20)11-19-8-4-6-14(17)10-19/h3,5,7,9,12,14H,4,6,8,10-11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 61295961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).