4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride

C12H16ClFN2O — CID 169452693

IUPAC4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(F)c(C2CCNCC2)c1
InChIInChI=1S/C12H15FN2O.ClH/c13-11-2-1-9(12(14)16)7-10(11)8-3-5-15-6-4-8;/h1-2,7-8,15H,3-6H2,(H2,14,16);1H
InChIKeyCNHPVCNLMVONCI-UHFFFAOYSA-N
MW258.72 g/mol
LogP1.81
Rot. Bonds2

About 4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride

4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 169452693) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
PubChem CID169452693
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(F)c(C2CCNCC2)c1
InChIInChI=1S/C12H15FN2O.ClH/c13-11-2-1-9(12(14)16)7-10(11)8-3-5-15-6-4-8;/h1-2,7-8,15H,3-6H2,(H2,14,16);1H
InChIKeyCNHPVCNLMVONCI-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
CID 169452700
3,4-difluoro-5-piperidin-4-ylbenzamide
CID 172648867
4-piperidin-4-ylbenzamide;hydrochloride
CID 68719929
3-[(R)-methylsulfinyl]-4-piperidin-4-ylbenzamide
CID 57192638
(4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 169488532
(4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 169488533
N-(4-fluoro-3-piperidin-4-ylphenyl)-2-methylpropanamide
CID 18446873
4-(4-fluoro-3-piperidin-4-yloxyphenyl)benzamide
CID 175193555
4-fluoro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide
CID 63875509
4-(2-fluoro-5-methylphenyl)azepane
CID 83262245
4-[azepan-4-yl(methyl)amino]-3-fluorobenzamide
CID 107174129
3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide
CID 169452672

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride (CID 169452693) is 4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride is Cl.NC(=O)c1ccc(F)c(C2CCNCC2)c1.
What is the InChIKey of 4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is CNHPVCNLMVONCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O.ClH/c13-11-2-1-9(12(14)16)7-10(11)8-3-5-15-6-4-8;/h1-2,7-8,15H,3-6H2,(H2,14,16);1H.
What are the key properties of 4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride?
4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 258.72 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 169452693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).