N-(2-fluorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide

C15H22FN3O — CID 63642324

IUPACN-(2-fluorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccccc1F)C1CCCNC1
InChIInChI=1S/C15H22FN3O/c1-19(12-5-4-9-17-11-12)10-8-15(20)18-14-7-3-2-6-13(14)16/h2-3,6-7,12,17H,4-5,8-11H2,1H3,(H,18,20)
InChIKeyHUSBNWXENBAQQJ-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.84
Rot. Bonds5

About N-(2-fluorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide

N-(2-fluorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide (PubChem CID 63642324) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide
PubChem CID63642324
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-(2-fluorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccccc1F)C1CCCNC1
InChIInChI=1S/C15H22FN3O/c1-19(12-5-4-9-17-11-12)10-8-15(20)18-14-7-3-2-6-13(14)16/h2-3,6-7,12,17H,4-5,8-11H2,1H3,(H,18,20)
InChIKeyHUSBNWXENBAQQJ-UHFFFAOYSA-N
XLogP1.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide
CID 63644278
1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea
CID 107172661
3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide
CID 66186658
N-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63297992
3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 60840730
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
CID 62977435
N-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 24588973
N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide
CID 16794531
3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide
CID 55482831
N-(2-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031990
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine
CID 55248730

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide (CID 63642324) is N-(2-fluorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide is CN(CCC(=O)Nc1ccccc1F)C1CCCNC1.
What is the InChIKey of N-(2-fluorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide?
The InChIKey is HUSBNWXENBAQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-19(12-5-4-9-17-11-12)10-8-15(20)18-14-7-3-2-6-13(14)16/h2-3,6-7,12,17H,4-5,8-11H2,1H3,(H,18,20).
What are the key properties of N-(2-fluorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide?
N-(2-fluorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide has a molecular weight of 279.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide is sourced from PubChem (CID 63642324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).