N-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride

C19H24Cl2FN3O — CID 119422659

IUPACN-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1NC(=O)C1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C19H22FN3O.2ClH/c20-16-7-3-5-14(11-16)12-23-10-4-6-15(13-23)19(24)22-18-9-2-1-8-17(18)21;;/h1-3,5,7-9,11,15H,4,6,10,12-13,21H2,(H,22,24);2*1H
InChIKeyIFZWVTPVIQVKMA-UHFFFAOYSA-N
MW400.33 g/mol
LogP4.10
Rot. Bonds4

About N-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride

N-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119422659) has the molecular formula C19H24Cl2FN3O and a molecular weight of 400.33 g/mol. Its IUPAC name is N-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119422659
Molecular FormulaC19H24Cl2FN3O
Molecular Weight400.33 g/mol
Exact Mass399.13
IUPAC NameN-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1NC(=O)C1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C19H22FN3O.2ClH/c20-16-7-3-5-14(11-16)12-23-10-4-6-15(13-23)19(24)22-18-9-2-1-8-17(18)21;;/h1-3,5,7-9,11,15H,4,6,10,12-13,21H2,(H,22,24);2*1H
InChIKeyIFZWVTPVIQVKMA-UHFFFAOYSA-N
XLogP4.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 54.10
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-(cyclopropanecarbonylamino)phenyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 47805198
N-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921367
1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 43921370
1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 47803084
(3S)-1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-4-yl)piperidine-3-carboxamide
CID 95275205
(3R)-1-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94819145
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 126794474
(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806
1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea
CID 86859369
N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43923132
N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119611971
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride (CID 119422659) is N-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride is Cl.Cl.Nc1ccccc1NC(=O)C1CCCN(Cc2cccc(F)c2)C1.
What is the InChIKey of N-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is IFZWVTPVIQVKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O.2ClH/c20-16-7-3-5-14(11-16)12-23-10-4-6-15(13-23)19(24)22-18-9-2-1-8-17(18)21;;/h1-3,5,7-9,11,15H,4,6,10,12-13,21H2,(H,22,24);2*1H.
What are the key properties of N-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride?
N-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 400.33 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119422659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).