[1-(1-fluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]azanium

C22H26FN2O+ — CID 142524746

IUPAC[1-(1-fluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]azanium
SMILES[NH3+]C1CCCN(C(=O)C2(F)CC2)C1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H25FN2O/c23-22(11-12-22)21(26)25-13-5-10-19(24)20(25)15-16-6-4-9-18(14-16)17-7-2-1-3-8-17/h1-4,6-9,14,19-20H,5,10-13,15,24H2/p+1
InChIKeySAWFGVJUKHTNIO-UHFFFAOYSA-O
MW353.46 g/mol
LogP3.00
Rot. Bonds4

About [1-(1-fluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]azanium

[1-(1-fluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]azanium (PubChem CID 142524746) has the molecular formula C22H26FN2O+ and a molecular weight of 353.46 g/mol. Its IUPAC name is [1-(1-fluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]azanium.

Molecular Properties

Compound Name[1-(1-fluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]azanium
PubChem CID142524746
Molecular FormulaC22H26FN2O+
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name[1-(1-fluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]azanium
SMILES[NH3+]C1CCCN(C(=O)C2(F)CC2)C1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H25FN2O/c23-22(11-12-22)21(26)25-13-5-10-19(24)20(25)15-16-6-4-9-18(14-16)17-7-2-1-3-8-17/h1-4,6-9,14,19-20H,5,10-13,15,24H2/p+1
InChIKeySAWFGVJUKHTNIO-UHFFFAOYSA-O
XLogP3.00
TPSA47.95 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [1-(1-fluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid
CID 154960242
cyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137470985
N-[(2S,3S)-1-(2,2-difluoroacetyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]methanesulfonamide
CID 137462211
cyclopropyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461302
3-(methanesulfonamido)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]piperidine-1-carboxamide
CID 137461539
3-oxo-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylic acid
CID 154960197
cyclohexyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137460644
N-[1-butanoyl-2-[(3-phenylphenyl)methyl]piperidin-3-yl]methanesulfonamide
CID 147041468
phenyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461708
N-[(2S,3S)-2-[(3-bromophenyl)methyl]-1-(1-fluorocyclobutanecarbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 137461183
methyl 3-(dimethylsulfamoylamino)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137462046
2,2-difluoroethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137462199

Frequently Asked Questions

What is the IUPAC name of [1-(1-fluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]azanium?
The IUPAC name of [1-(1-fluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]azanium (CID 142524746) is [1-(1-fluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]azanium.
What is the SMILES notation for [1-(1-fluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]azanium?
The canonical SMILES for [1-(1-fluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]azanium is [NH3+]C1CCCN(C(=O)C2(F)CC2)C1Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of [1-(1-fluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]azanium?
The InChIKey is SAWFGVJUKHTNIO-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H25FN2O/c23-22(11-12-22)21(26)25-13-5-10-19(24)20(25)15-16-6-4-9-18(14-16)17-7-2-1-3-8-17/h1-4,6-9,14,19-20H,5,10-13,15,24H2/p+1.
What are the key properties of [1-(1-fluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]azanium?
[1-(1-fluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]azanium has a molecular weight of 353.46 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-fluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]azanium is sourced from PubChem (CID 142524746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).