piperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride

C19H20ClFN2O3 — CID 102560121

IUPACpiperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride
SMILESCl.O=C(Nc1cccc(C(=O)OC2CCNCC2)c1)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3.ClH/c20-15-6-4-13(5-7-15)18(23)22-16-3-1-2-14(12-16)19(24)25-17-8-10-21-11-9-17;/h1-7,12,17,21H,8-11H2,(H,22,23);1H
InChIKeyBDBYIKLJBRNDGG-UHFFFAOYSA-N
MW378.83 g/mol
LogP3.41
Rot. Bonds4

About piperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride

piperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride (PubChem CID 102560121) has the molecular formula C19H20ClFN2O3 and a molecular weight of 378.83 g/mol. Its IUPAC name is piperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride.

Molecular Properties

Compound Namepiperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride
PubChem CID102560121
Molecular FormulaC19H20ClFN2O3
Molecular Weight378.83 g/mol
Exact Mass378.11
IUPAC Namepiperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride
SMILESCl.O=C(Nc1cccc(C(=O)OC2CCNCC2)c1)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3.ClH/c20-15-6-4-13(5-7-15)18(23)22-16-3-1-2-14(12-16)19(24)25-17-8-10-21-11-9-17;/h1-7,12,17,21H,8-11H2,(H,22,23);1H
InChIKeyBDBYIKLJBRNDGG-UHFFFAOYSA-N
XLogP3.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-4-yl 4-[(4-fluorobenzoyl)amino]benzoate;hydrochloride
CID 91645336
piperidin-4-yl 3-[[2-[4-[(4-bromobenzoyl)amino]phenyl]acetyl]amino]benzoate
CID 166329576
piperidin-4-yl 4-fluorobenzoate
CID 22921983
piperidin-4-yl 3-[(5-ethylfuran-2-carbonyl)amino]benzoate
CID 91645333
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide
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cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
piperidin-4-yl 4-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoate
CID 75430153
piperidin-4-yl 3-(trifluoromethyl)benzoate
CID 162771690
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
cyclopentyl 3-(carbamoylamino)benzoate
CID 47128803
[3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate
CID 3409068
N-(3-tert-butylphenyl)-4-piperidin-4-yloxybenzamide
CID 149149599

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride?
The IUPAC name of piperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride (CID 102560121) is piperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride.
What is the SMILES notation for piperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride?
The canonical SMILES for piperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride is Cl.O=C(Nc1cccc(C(=O)OC2CCNCC2)c1)c1ccc(F)cc1.
What is the InChIKey of piperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride?
The InChIKey is BDBYIKLJBRNDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3.ClH/c20-15-6-4-13(5-7-15)18(23)22-16-3-1-2-14(12-16)19(24)25-17-8-10-21-11-9-17;/h1-7,12,17,21H,8-11H2,(H,22,23);1H.
What are the key properties of piperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride?
piperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride has a molecular weight of 378.83 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride is sourced from PubChem (CID 102560121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).