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

C19H20ClFN2O3 — CID 91645336

IUPACpiperidin-4-yl 4-[(4-fluorobenzoyl)amino]benzoate;hydrochloride
SMILESCl.O=C(Nc1ccc(C(=O)OC2CCNCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3.ClH/c20-15-5-1-13(2-6-15)18(23)22-16-7-3-14(4-8-16)19(24)25-17-9-11-21-12-10-17;/h1-8,17,21H,9-12H2,(H,22,23);1H
InChIKeySADXQUDNAVXWIA-UHFFFAOYSA-N
MW378.83 g/mol
LogP3.41
Rot. Bonds4

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

piperidin-4-yl 4-[(4-fluorobenzoyl)amino]benzoate;hydrochloride (PubChem CID 91645336) has the molecular formula C19H20ClFN2O3 and a molecular weight of 378.83 g/mol. Its IUPAC name is piperidin-4-yl 4-[(4-fluorobenzoyl)amino]benzoate;hydrochloride.

Molecular Properties

Compound Namepiperidin-4-yl 4-[(4-fluorobenzoyl)amino]benzoate;hydrochloride
PubChem CID91645336
Molecular FormulaC19H20ClFN2O3
Molecular Weight378.83 g/mol
Exact Mass378.11
IUPAC Namepiperidin-4-yl 4-[(4-fluorobenzoyl)amino]benzoate;hydrochloride
SMILESCl.O=C(Nc1ccc(C(=O)OC2CCNCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3.ClH/c20-15-5-1-13(2-6-15)18(23)22-16-7-3-14(4-8-16)19(24)25-17-9-11-21-12-10-17;/h1-8,17,21H,9-12H2,(H,22,23);1H
InChIKeySADXQUDNAVXWIA-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 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride
CID 102560121
cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
piperidin-4-yl 4-fluorobenzoate
CID 22921983
piperidin-4-yl 4-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoate
CID 75430153
piperidin-4-yl 4-[(5-methylthiophene-2-carbonyl)amino]benzoate;hydrochloride
CID 75430125
piperidin-4-yl 4-(4,4,4-trifluorobutanoylamino)benzoate
CID 86813781
piperidin-4-yl 4-[(3-methylfuran-2-carbonyl)amino]benzoate
CID 75430151
cyclopropyl 4-fluorobenzoate
CID 126986458
cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate
CID 17128630
cyclohexyl 4-(pyridine-4-carbonylamino)benzoate
CID 719338
cyclopentyl 4-fluorobenzoate
CID 579482
N-[4-[(4-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride
CID 158193978

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 4-[(4-fluorobenzoyl)amino]benzoate;hydrochloride?
The IUPAC name of piperidin-4-yl 4-[(4-fluorobenzoyl)amino]benzoate;hydrochloride (CID 91645336) is piperidin-4-yl 4-[(4-fluorobenzoyl)amino]benzoate;hydrochloride.
What is the SMILES notation for piperidin-4-yl 4-[(4-fluorobenzoyl)amino]benzoate;hydrochloride?
The canonical SMILES for piperidin-4-yl 4-[(4-fluorobenzoyl)amino]benzoate;hydrochloride is Cl.O=C(Nc1ccc(C(=O)OC2CCNCC2)cc1)c1ccc(F)cc1.
What is the InChIKey of piperidin-4-yl 4-[(4-fluorobenzoyl)amino]benzoate;hydrochloride?
The InChIKey is SADXQUDNAVXWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3.ClH/c20-15-5-1-13(2-6-15)18(23)22-16-7-3-14(4-8-16)19(24)25-17-9-11-21-12-10-17;/h1-8,17,21H,9-12H2,(H,22,23);1H.
What are the key properties of piperidin-4-yl 4-[(4-fluorobenzoyl)amino]benzoate;hydrochloride?
piperidin-4-yl 4-[(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 4-[(4-fluorobenzoyl)amino]benzoate;hydrochloride is sourced from PubChem (CID 91645336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).