N-(1-chloropiperidin-4-yl)-4-fluorobenzamide

C12H14ClFN2O — CID 89224691

IUPACN-(1-chloropiperidin-4-yl)-4-fluorobenzamide
SMILESO=C(NC1CCN(Cl)CC1)c1ccc(F)cc1
InChIInChI=1S/C12H14ClFN2O/c13-16-7-5-11(6-8-16)15-12(17)9-1-3-10(14)4-2-9/h1-4,11H,5-8H2,(H,15,17)
InChIKeyRTQLERKUEBASOE-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.17
Rot. Bonds2

About N-(1-chloropiperidin-4-yl)-4-fluorobenzamide

N-(1-chloropiperidin-4-yl)-4-fluorobenzamide (PubChem CID 89224691) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is N-(1-chloropiperidin-4-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1-chloropiperidin-4-yl)-4-fluorobenzamide
PubChem CID89224691
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC NameN-(1-chloropiperidin-4-yl)-4-fluorobenzamide
SMILESO=C(NC1CCN(Cl)CC1)c1ccc(F)cc1
InChIInChI=1S/C12H14ClFN2O/c13-16-7-5-11(6-8-16)15-12(17)9-1-3-10(14)4-2-9/h1-4,11H,5-8H2,(H,15,17)
InChIKeyRTQLERKUEBASOE-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide
CID 110871339
4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47368477
4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide
CID 46592883
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
4-fluoro-N-(1-oxothian-4-yl)benzamide
CID 115886679
N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-4-fluorobenzamide
CID 3218714
N-[1-(3-aminobutanoyl)piperidin-4-yl]-4-fluorobenzamide;hydrochloride
CID 119709967
N-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508392
N-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 46592898
N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 108559370

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropiperidin-4-yl)-4-fluorobenzamide?
The IUPAC name of N-(1-chloropiperidin-4-yl)-4-fluorobenzamide (CID 89224691) is N-(1-chloropiperidin-4-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(1-chloropiperidin-4-yl)-4-fluorobenzamide?
The canonical SMILES for N-(1-chloropiperidin-4-yl)-4-fluorobenzamide is O=C(NC1CCN(Cl)CC1)c1ccc(F)cc1.
What is the InChIKey of N-(1-chloropiperidin-4-yl)-4-fluorobenzamide?
The InChIKey is RTQLERKUEBASOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-16-7-5-11(6-8-16)15-12(17)9-1-3-10(14)4-2-9/h1-4,11H,5-8H2,(H,15,17).
What are the key properties of N-(1-chloropiperidin-4-yl)-4-fluorobenzamide?
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide has a molecular weight of 256.71 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropiperidin-4-yl)-4-fluorobenzamide is sourced from PubChem (CID 89224691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).