N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide

C15H22FN3O — CID 16779380

IUPACN-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
SMILESCC1CCCN(CCC(=O)Nc2ccc(F)c(N)c2)C1
InChIInChI=1S/C15H22FN3O/c1-11-3-2-7-19(10-11)8-6-15(20)18-12-4-5-13(16)14(17)9-12/h4-5,9,11H,2-3,6-8,10,17H2,1H3,(H,18,20)
InChIKeyVVXXLBAJLXTOHA-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.47
Rot. Bonds4

About N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide

N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide (PubChem CID 16779380) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
PubChem CID16779380
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
SMILESCC1CCCN(CCC(=O)Nc2ccc(F)c(N)c2)C1
InChIInChI=1S/C15H22FN3O/c1-11-3-2-7-19(10-11)8-6-15(20)18-12-4-5-13(16)14(17)9-12/h4-5,9,11H,2-3,6-8,10,17H2,1H3,(H,18,20)
InChIKeyVVXXLBAJLXTOHA-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145276
N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778601
N-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide
CID 102956413
N-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide
CID 55131164
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 739962
N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride
CID 24747038
N-(3-amino-4-methylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 43375487
N-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 109032944
N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide
CID 61221645
N-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
CID 103530777
3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 109032975

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide (CID 16779380) is N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide is CC1CCCN(CCC(=O)Nc2ccc(F)c(N)c2)C1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide?
The InChIKey is VVXXLBAJLXTOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-11-3-2-7-19(10-11)8-6-15(20)18-12-4-5-13(16)14(17)9-12/h4-5,9,11H,2-3,6-8,10,17H2,1H3,(H,18,20).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide?
N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide has a molecular weight of 279.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 16779380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).