N-cyclopropyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride

C16H22ClFN2O — CID 171365215

IUPACN-cyclopropyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1cc(C2CCNCC2)cc(F)c1C(=O)NC1CC1.Cl
InChIInChI=1S/C16H21FN2O.ClH/c1-10-8-12(11-4-6-18-7-5-11)9-14(17)15(10)16(20)19-13-2-3-13;/h8-9,11,13,18H,2-7H2,1H3,(H,19,20);1H
InChIKeyREETWZIRAIGIKB-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.92
Rot. Bonds3

About N-cyclopropyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride

N-cyclopropyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 171365215) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
PubChem CID171365215
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC NameN-cyclopropyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1cc(C2CCNCC2)cc(F)c1C(=O)NC1CC1.Cl
InChIInChI=1S/C16H21FN2O.ClH/c1-10-8-12(11-4-6-18-7-5-11)9-14(17)15(10)16(20)19-13-2-3-13;/h8-9,11,13,18H,2-7H2,1H3,(H,19,20);1H
InChIKeyREETWZIRAIGIKB-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 171365207
2-fluoro-N-(2-methoxyethyl)-6-methyl-4-piperidin-4-ylbenzamide
CID 171365222
2-fluoro-6-methyl-4-piperidin-4-ylbenzamide
CID 171365208
2-fluoro-N,N,6-trimethyl-4-piperidin-4-ylbenzamide
CID 171365240
N,N-diethyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 171365241
2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386244
N-cyclopentyl-2-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 171361893
N-cyclopentyl-2-fluoro-4-hydroxy-6-methylbenzamide
CID 171905657
N-cyclobutyl-2-fluoro-4-hydroxy-6-methylbenzamide
CID 171905656
N-cyclohexyl-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436170
2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385702
N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
CID 169452700

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of N-cyclopropyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride (CID 171365215) is N-cyclopropyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride is Cc1cc(C2CCNCC2)cc(F)c1C(=O)NC1CC1.Cl.
What is the InChIKey of N-cyclopropyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is REETWZIRAIGIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O.ClH/c1-10-8-12(11-4-6-18-7-5-11)9-14(17)15(10)16(20)19-13-2-3-13;/h8-9,11,13,18H,2-7H2,1H3,(H,19,20);1H.
What are the key properties of N-cyclopropyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride?
N-cyclopropyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 312.82 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 171365215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).