2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide

C15H22FN3O — CID 63848548

IUPAC2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCC(N)C1CCCN(CC(=O)Nc2ccccc2F)C1
InChIInChI=1S/C15H22FN3O/c1-11(17)12-5-4-8-19(9-12)10-15(20)18-14-7-3-2-6-13(14)16/h2-3,6-7,11-12H,4-5,8-10,17H2,1H3,(H,18,20)
InChIKeyBPKCWWNDVXRIEJ-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.82
Rot. Bonds4

About 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide

2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 63848548) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID63848548
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCC(N)C1CCCN(CC(=O)Nc2ccccc2F)C1
InChIInChI=1S/C15H22FN3O/c1-11(17)12-5-4-8-19(9-12)10-15(20)18-14-7-3-2-6-13(14)16/h2-3,6-7,11-12H,4-5,8-10,17H2,1H3,(H,18,20)
InChIKeyBPKCWWNDVXRIEJ-UHFFFAOYSA-N
XLogP1.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919928
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 119925484
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide;hydrochloride
CID 119925366
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119905386
2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119917633
N-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 166601926
N-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide
CID 22194026
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide;hydrochloride
CID 119925697
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 115969224
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119925182

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide (CID 63848548) is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide is CC(N)C1CCCN(CC(=O)Nc2ccccc2F)C1.
What is the InChIKey of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is BPKCWWNDVXRIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-11(17)12-5-4-8-19(9-12)10-15(20)18-14-7-3-2-6-13(14)16/h2-3,6-7,11-12H,4-5,8-10,17H2,1H3,(H,18,20).
What are the key properties of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 279.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 63848548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).