N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride

C15H21ClFN3O2 — CID 119299562

IUPACN-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCNC(=O)C1CCCNC1)c1ccc(F)cc1
InChIInChI=1S/C15H20FN3O2.ClH/c16-13-5-3-11(4-6-13)14(20)18-8-9-19-15(21)12-2-1-7-17-10-12;/h3-6,12,17H,1-2,7-10H2,(H,18,20)(H,19,21);1H
InChIKeyYSNZXXWAFKJLFK-UHFFFAOYSA-N
MW329.80 g/mol
LogP1.09
Rot. Bonds5

About N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride

N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119299562) has the molecular formula C15H21ClFN3O2 and a molecular weight of 329.80 g/mol. Its IUPAC name is N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119299562
Molecular FormulaC15H21ClFN3O2
Molecular Weight329.80 g/mol
Exact Mass329.13
IUPAC NameN-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCNC(=O)C1CCCNC1)c1ccc(F)cc1
InChIInChI=1S/C15H20FN3O2.ClH/c16-13-5-3-11(4-6-13)14(20)18-8-9-19-15(21)12-2-1-7-17-10-12;/h3-6,12,17H,1-2,7-10H2,(H,18,20)(H,19,21);1H
InChIKeyYSNZXXWAFKJLFK-UHFFFAOYSA-N
XLogP1.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299602
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 46103850
N-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119311250
N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299555
N-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119297921
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 119704149
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide
CID 119896338
N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885582
(3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81134243
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119293576
N-[3-[(3-aminocyclohexanecarbonyl)amino]propyl]-4-fluorobenzamide;hydrochloride
CID 119782980

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride (CID 119299562) is N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(NCCNC(=O)C1CCCNC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is YSNZXXWAFKJLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2.ClH/c16-13-5-3-11(4-6-13)14(20)18-8-9-19-15(21)12-2-1-7-17-10-12;/h3-6,12,17H,1-2,7-10H2,(H,18,20)(H,19,21);1H.
What are the key properties of N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride?
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 329.80 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119299562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).