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

C15H22FN3O — CID 16778601

IUPACN-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN(CCC(=O)Nc2ccc(F)c(N)c2)CC1
InChIInChI=1S/C15H22FN3O/c1-11-4-7-19(8-5-11)9-6-15(20)18-12-2-3-13(16)14(17)10-12/h2-3,10-11H,4-9,17H2,1H3,(H,18,20)
InChIKeyKHIBIKYZZROJMR-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.47
Rot. Bonds4

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

N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide (PubChem CID 16778601) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
PubChem CID16778601
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN(CCC(=O)Nc2ccc(F)c(N)c2)CC1
InChIInChI=1S/C15H22FN3O/c1-11-4-7-19(8-5-11)9-6-15(20)18-12-2-3-13(16)14(17)10-12/h2-3,10-11H,4-9,17H2,1H3,(H,18,20)
InChIKeyKHIBIKYZZROJMR-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-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 16779380
N-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide
CID 55131164
N-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide
CID 102956413
N-(3-chlorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014570
N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63624788
N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778789
N-(3,4-difluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 30101240
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 773010
3-(4-methylpiperidin-1-yl)-N-[6-[3-(4-methylpiperidin-1-yl)propanoylamino]acridin-3-yl]propanamide
CID 24963056
N-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
CID 103530777
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride
CID 23724258
N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 29046567

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide (CID 16778601) is N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide is CC1CCN(CCC(=O)Nc2ccc(F)c(N)c2)CC1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is KHIBIKYZZROJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-11-4-7-19(8-5-11)9-6-15(20)18-12-2-3-13(16)14(17)10-12/h2-3,10-11H,4-9,17H2,1H3,(H,18,20).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide?
N-(3-amino-4-fluorophenyl)-3-(4-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-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 16778601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).