3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride

C16H24ClFN2O — CID 169452677

IUPAC3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride
SMILESCC(C)CNC(=O)c1ccc(C2CCNCC2)c(F)c1.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-11(2)10-19-16(20)13-3-4-14(15(17)9-13)12-5-7-18-8-6-12;/h3-4,9,11-12,18H,5-8,10H2,1-2H3,(H,19,20);1H
InChIKeySGZSWEAOLIZTOT-UHFFFAOYSA-N
MW314.83 g/mol
LogP3.10
Rot. Bonds4

About 3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride

3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 169452677) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is 3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride
PubChem CID169452677
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC Name3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride
SMILESCC(C)CNC(=O)c1ccc(C2CCNCC2)c(F)c1.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-11(2)10-19-16(20)13-3-4-14(15(17)9-13)12-5-7-18-8-6-12;/h3-4,9,11-12,18H,5-8,10H2,1-2H3,(H,19,20);1H
InChIKeySGZSWEAOLIZTOT-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide
CID 169452670
3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide
CID 169452672
4-chloro-3-fluoro-N-(2-methylpropyl)benzamide
CID 103875490
N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
CID 169452700
N-(cyclopropylmethyl)-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride
CID 172648880
N-(2-methoxyethyl)-4-methyl-3-piperidin-4-ylbenzamide;hydrochloride
CID 171361829
N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 82171853
N-(2-methylpropyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 171393396
4-fluoro-N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]benzamide
CID 24714532
N-(3-ethoxy-2-hydroxypropyl)-3-piperidin-4-ylbenzamide
CID 134231528
4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
CID 169452693
N-(2-methoxyethyl)-5-piperidin-4-ylnaphthalene-2-carboxamide
CID 171396920

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride (CID 169452677) is 3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride is CC(C)CNC(=O)c1ccc(C2CCNCC2)c(F)c1.Cl.
What is the InChIKey of 3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is SGZSWEAOLIZTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O.ClH/c1-11(2)10-19-16(20)13-3-4-14(15(17)9-13)12-5-7-18-8-6-12;/h3-4,9,11-12,18H,5-8,10H2,1-2H3,(H,19,20);1H.
What are the key properties of 3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride?
3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 314.83 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 169452677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).