2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide

C13H18FN3O — CID 102977214

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESN[C@@H]1CCCN(CC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C13H18FN3O/c14-10-3-5-12(6-4-10)16-13(18)9-17-7-1-2-11(15)8-17/h3-6,11H,1-2,7-9,15H2,(H,16,18)/t11-/m1/s1
InChIKeyDMXDEOUYCCHHRB-LLVKDONJSA-N
MW251.30 g/mol
LogP1.19
Rot. Bonds3

About 2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide

2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 102977214) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID102977214
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESN[C@@H]1CCCN(CC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C13H18FN3O/c14-10-3-5-12(6-4-10)16-13(18)9-17-7-1-2-11(15)8-17/h3-6,11H,1-2,7-9,15H2,(H,16,18)/t11-/m1/s1
InChIKeyDMXDEOUYCCHHRB-LLVKDONJSA-N
XLogP1.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopiperidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 61297951
2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 61297774
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 102977410
2-(3-aminopiperidin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 61298131
N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773
2-(3-aminopyrrolidin-1-yl)-N-(3,5-difluorophenyl)acetamide;hydrochloride
CID 119917422
N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972270
2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride
CID 119910140
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 61295961
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 119933635
2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride
CID 119917629

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide (CID 102977214) is 2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide is N[C@@H]1CCCN(CC(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is DMXDEOUYCCHHRB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18FN3O/c14-10-3-5-12(6-4-10)16-13(18)9-17-7-1-2-11(15)8-17/h3-6,11H,1-2,7-9,15H2,(H,16,18)/t11-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 251.30 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 102977214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).