N-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride

C20H23ClFN3O2 — CID 119311250

IUPACN-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(CNC(=O)C2CCCNC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O2.ClH/c21-17-7-5-15(6-8-17)20(26)24-18-9-3-14(4-10-18)12-23-19(25)16-2-1-11-22-13-16;/h3-10,16,22H,1-2,11-13H2,(H,23,25)(H,24,26);1H
InChIKeyJRJJWGUIPOXOEV-UHFFFAOYSA-N
MW391.87 g/mol
LogP3.12
Rot. Bonds5

About N-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride

N-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119311250) has the molecular formula C20H23ClFN3O2 and a molecular weight of 391.87 g/mol. Its IUPAC name is N-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119311250
Molecular FormulaC20H23ClFN3O2
Molecular Weight391.87 g/mol
Exact Mass391.15
IUPAC NameN-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(CNC(=O)C2CCCNC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O2.ClH/c21-17-7-5-15(6-8-17)20(26)24-18-9-3-14(4-10-18)12-23-19(25)16-2-1-11-22-13-16;/h3-10,16,22H,1-2,11-13H2,(H,23,25)(H,24,26);1H
InChIKeyJRJJWGUIPOXOEV-UHFFFAOYSA-N
XLogP3.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.87
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277382
N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119277383
N-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119864785
N-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277230
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299562
N-[4-(phenylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119307803
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]oxolane-3-carboxamide
CID 71918324
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
N-[4-[(carbamoylamino)methyl]phenyl]piperidine-3-carboxamide
CID 119308510
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride (CID 119311250) is N-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(CNC(=O)C2CCCNC2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is JRJJWGUIPOXOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2.ClH/c21-17-7-5-15(6-8-17)20(26)24-18-9-3-14(4-10-18)12-23-19(25)16-2-1-11-22-13-16;/h3-10,16,22H,1-2,11-13H2,(H,23,25)(H,24,26);1H.
What are the key properties of N-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
N-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 391.87 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119311250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).