5-cyano-4-fluoro-2-methoxy-N-piperidin-4-ylbenzamide;hydrochloride

C14H17ClFN3O2 — CID 90190051

IUPAC5-cyano-4-fluoro-2-methoxy-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCOc1cc(F)c(C#N)cc1C(=O)NC1CCNCC1.Cl
InChIInChI=1S/C14H16FN3O2.ClH/c1-20-13-7-12(15)9(8-16)6-11(13)14(19)18-10-2-4-17-5-3-10;/h6-7,10,17H,2-5H2,1H3,(H,18,19);1H
InChIKeyAWHQSAHDYFMGKV-UHFFFAOYSA-N
MW313.76 g/mol
LogP1.61
Rot. Bonds3

About 5-cyano-4-fluoro-2-methoxy-N-piperidin-4-ylbenzamide;hydrochloride

5-cyano-4-fluoro-2-methoxy-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 90190051) has the molecular formula C14H17ClFN3O2 and a molecular weight of 313.76 g/mol. Its IUPAC name is 5-cyano-4-fluoro-2-methoxy-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-cyano-4-fluoro-2-methoxy-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID90190051
Molecular FormulaC14H17ClFN3O2
Molecular Weight313.76 g/mol
Exact Mass313.10
IUPAC Name5-cyano-4-fluoro-2-methoxy-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCOc1cc(F)c(C#N)cc1C(=O)NC1CCNCC1.Cl
InChIInChI=1S/C14H16FN3O2.ClH/c1-20-13-7-12(15)9(8-16)6-11(13)14(19)18-10-2-4-17-5-3-10;/h6-7,10,17H,2-5H2,1H3,(H,18,19);1H
InChIKeyAWHQSAHDYFMGKV-UHFFFAOYSA-N
XLogP1.61
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-cyano-4-fluoro-2-methoxy-N-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

5-cyano-4-methoxy-N-piperidin-4-ylpyridine-2-carboxamide;ethane
CID 145096174
5-cyano-4-fluoro-2-methoxybenzoyl chloride
CID 171021975
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
2-methoxy-N-piperidin-4-ylbenzamide
CID 16780894
N-(azepan-4-yl)-2-methoxy-5-methylbenzamide
CID 105058771
2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386244
2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426612
2-fluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387686
2-bromo-3,4,5-trimethoxy-N-piperidin-4-ylbenzamide
CID 127217560
4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide
CID 119388030
3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide
CID 79725951
5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389522

Frequently Asked Questions

What is the IUPAC name of 5-cyano-4-fluoro-2-methoxy-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 5-cyano-4-fluoro-2-methoxy-N-piperidin-4-ylbenzamide;hydrochloride (CID 90190051) is 5-cyano-4-fluoro-2-methoxy-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 5-cyano-4-fluoro-2-methoxy-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 5-cyano-4-fluoro-2-methoxy-N-piperidin-4-ylbenzamide;hydrochloride is COc1cc(F)c(C#N)cc1C(=O)NC1CCNCC1.Cl.
What is the InChIKey of 5-cyano-4-fluoro-2-methoxy-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is AWHQSAHDYFMGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2.ClH/c1-20-13-7-12(15)9(8-16)6-11(13)14(19)18-10-2-4-17-5-3-10;/h6-7,10,17H,2-5H2,1H3,(H,18,19);1H.
What are the key properties of 5-cyano-4-fluoro-2-methoxy-N-piperidin-4-ylbenzamide;hydrochloride?
5-cyano-4-fluoro-2-methoxy-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 313.76 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-4-fluoro-2-methoxy-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 90190051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).