N-(2-amino-5-fluorophenyl)-3-piperidin-3-ylbenzamide

C18H20FN3O — CID 167775583

IUPACN-(2-amino-5-fluorophenyl)-3-piperidin-3-ylbenzamide
SMILESNc1ccc(F)cc1NC(=O)c1cccc(C2CCCNC2)c1
InChIInChI=1S/C18H20FN3O/c19-15-6-7-16(20)17(10-15)22-18(23)13-4-1-3-12(9-13)14-5-2-8-21-11-14/h1,3-4,6-7,9-10,14,21H,2,5,8,11,20H2,(H,22,23)
InChIKeyNKKRSKGOVKBAGF-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.13
Rot. Bonds3

About N-(2-amino-5-fluorophenyl)-3-piperidin-3-ylbenzamide

N-(2-amino-5-fluorophenyl)-3-piperidin-3-ylbenzamide (PubChem CID 167775583) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-3-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-3-piperidin-3-ylbenzamide
PubChem CID167775583
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC NameN-(2-amino-5-fluorophenyl)-3-piperidin-3-ylbenzamide
SMILESNc1ccc(F)cc1NC(=O)c1cccc(C2CCCNC2)c1
InChIInChI=1S/C18H20FN3O/c19-15-6-7-16(20)17(10-15)22-18(23)13-4-1-3-12(9-13)14-5-2-8-21-11-14/h1,3-4,6-7,9-10,14,21H,2,5,8,11,20H2,(H,22,23)
InChIKeyNKKRSKGOVKBAGF-UHFFFAOYSA-N
XLogP3.13
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-piperidin-3-yl-N-propan-2-ylbenzamide;hydrochloride
CID 172654397
N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride
CID 172654417
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
N-(2-amino-5-fluorophenyl)-3-piperidin-4-yl-1H-indole-5-carboxamide
CID 167990540
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
N-butyl-3-piperidin-3-ylbenzamide
CID 172654408
N-(2-amino-5-fluorophenyl)piperidine-4-carboxamide
CID 110482325
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97195563
N-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97188264
3-(3-fluorophenyl)pyrrolidine;oxalic acid
CID 91623790
(3S)-3-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891221
3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 50788957

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-3-piperidin-3-ylbenzamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-3-piperidin-3-ylbenzamide (CID 167775583) is N-(2-amino-5-fluorophenyl)-3-piperidin-3-ylbenzamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-3-piperidin-3-ylbenzamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-3-piperidin-3-ylbenzamide is Nc1ccc(F)cc1NC(=O)c1cccc(C2CCCNC2)c1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-3-piperidin-3-ylbenzamide?
The InChIKey is NKKRSKGOVKBAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-15-6-7-16(20)17(10-15)22-18(23)13-4-1-3-12(9-13)14-5-2-8-21-11-14/h1,3-4,6-7,9-10,14,21H,2,5,8,11,20H2,(H,22,23).
What are the key properties of N-(2-amino-5-fluorophenyl)-3-piperidin-3-ylbenzamide?
N-(2-amino-5-fluorophenyl)-3-piperidin-3-ylbenzamide has a molecular weight of 313.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-3-piperidin-3-ylbenzamide is sourced from PubChem (CID 167775583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).