3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide

C20H24FN3O — CID 113239291

IUPAC3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)NC2CCCN(Cc3ccccc3)C2)cc1F
InChIInChI=1S/C20H24FN3O/c1-14-18(21)10-16(11-19(14)22)20(25)23-17-8-5-9-24(13-17)12-15-6-3-2-4-7-15/h2-4,6-7,10-11,17H,5,8-9,12-13,22H2,1H3,(H,23,25)
InChIKeyKDTDWOOPUUAAQM-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.11
Rot. Bonds4

About 3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide

3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide (PubChem CID 113239291) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide
PubChem CID113239291
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)NC2CCCN(Cc3ccccc3)C2)cc1F
InChIInChI=1S/C20H24FN3O/c1-14-18(21)10-16(11-19(14)22)20(25)23-17-8-5-9-24(13-17)12-15-6-3-2-4-7-15/h2-4,6-7,10-11,17H,5,8-9,12-13,22H2,1H3,(H,23,25)
InChIKeyKDTDWOOPUUAAQM-UHFFFAOYSA-N
XLogP3.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.11
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

3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide
CID 60861850
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
N-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide
CID 55653777
N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide
CID 134801576
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-(1-benzylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 75874280
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide
CID 113239287
N-(1-benzylpiperidin-3-yl)-2-bromo-5-fluorobenzamide
CID 42958717
4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide
CID 56545592
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-(1-benzylpiperidin-3-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55850896

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide (CID 113239291) is 3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide is Cc1c(N)cc(C(=O)NC2CCCN(Cc3ccccc3)C2)cc1F.
What is the InChIKey of 3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide?
The InChIKey is KDTDWOOPUUAAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-14-18(21)10-16(11-19(14)22)20(25)23-17-8-5-9-24(13-17)12-15-6-3-2-4-7-15/h2-4,6-7,10-11,17H,5,8-9,12-13,22H2,1H3,(H,23,25).
What are the key properties of 3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide?
3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide has a molecular weight of 341.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 113239291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).