2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide

C15H22FN3O — CID 114876510

IUPAC2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCC1CCN(CC(=O)Nc2ccccc2F)CC1CN
InChIInChI=1S/C15H22FN3O/c1-11-6-7-19(9-12(11)8-17)10-15(20)18-14-5-3-2-4-13(14)16/h2-5,11-12H,6-10,17H2,1H3,(H,18,20)
InChIKeyBCUHBHYGMXREJB-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.68
Rot. Bonds4

About 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide

2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 114876510) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID114876510
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCC1CCN(CC(=O)Nc2ccccc2F)CC1CN
InChIInChI=1S/C15H22FN3O/c1-11-6-7-19(9-12(11)8-17)10-15(20)18-14-5-3-2-4-13(14)16/h2-5,11-12H,6-10,17H2,1H3,(H,18,20)
InChIKeyBCUHBHYGMXREJB-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 114961186
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119925182
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-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773
N-(2-fluorophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648320
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide
CID 22194026
N-(2-fluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 114681385
N-(2-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919928
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide
CID 114961132
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 63848548

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide (CID 114876510) is 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide is CC1CCN(CC(=O)Nc2ccccc2F)CC1CN.
What is the InChIKey of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is BCUHBHYGMXREJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-11-6-7-19(9-12(11)8-17)10-15(20)18-14-5-3-2-4-13(14)16/h2-5,11-12H,6-10,17H2,1H3,(H,18,20).
What are the key properties of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 279.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 114876510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).