1-(3-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride

C19H21ClFN3O2 — CID 119768112

IUPAC1-(3-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.Nc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H20FN3O2.ClH/c20-15-4-6-17(7-5-15)22-18(24)13-8-10-23(11-9-13)19(25)14-2-1-3-16(21)12-14;/h1-7,12-13H,8-11,21H2,(H,22,24);1H
InChIKeyZSCQNZWPRPBJDZ-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.32
Rot. Bonds3

About 1-(3-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride

1-(3-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119768112) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is 1-(3-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119768112
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC Name1-(3-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.Nc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H20FN3O2.ClH/c20-15-4-6-17(7-5-15)22-18(24)13-8-10-23(11-9-13)19(25)14-2-1-3-16(21)12-14;/h1-7,12-13H,8-11,21H2,(H,22,24);1H
InChIKeyZSCQNZWPRPBJDZ-UHFFFAOYSA-N
XLogP3.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.32
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

1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 99816380
1-(3-fluorobenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 17223695
1-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 42693290
N-(4-fluorophenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42693313
1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 119945231
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113008104
1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 801213
propyl 4-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 17223615

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(3-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride (CID 119768112) is 1-(3-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride is Cl.Nc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-(3-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is ZSCQNZWPRPBJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2.ClH/c20-15-4-6-17(7-5-15)22-18(24)13-8-10-23(11-9-13)19(25)14-2-1-3-16(21)12-14;/h1-7,12-13H,8-11,21H2,(H,22,24);1H.
What are the key properties of 1-(3-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
1-(3-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 377.85 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119768112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).