N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride

C17H23ClF2N2O — CID 165436162

IUPACN-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1cc(C(=O)NC2CC(F)(F)C2)cc(C2CCNCC2)c1.Cl
InChIInChI=1S/C17H22F2N2O.ClH/c1-11-6-13(12-2-4-20-5-3-12)8-14(7-11)16(22)21-15-9-17(18,19)10-15;/h6-8,12,15,20H,2-5,9-10H2,1H3,(H,21,22);1H
InChIKeyCMOBPCIHRKNXSY-UHFFFAOYSA-N
MW344.83 g/mol
LogP3.41
Rot. Bonds3

About N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride

N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 165436162) has the molecular formula C17H23ClF2N2O and a molecular weight of 344.83 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
PubChem CID165436162
Molecular FormulaC17H23ClF2N2O
Molecular Weight344.83 g/mol
Exact Mass344.15
IUPAC NameN-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1cc(C(=O)NC2CC(F)(F)C2)cc(C2CCNCC2)c1.Cl
InChIInChI=1S/C17H22F2N2O.ClH/c1-11-6-13(12-2-4-20-5-3-12)8-14(7-11)16(22)21-15-9-17(18,19)10-15;/h6-8,12,15,20H,2-5,9-10H2,1H3,(H,21,22);1H
InChIKeyCMOBPCIHRKNXSY-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride (CID 165436162) is N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride is Cc1cc(C(=O)NC2CC(F)(F)C2)cc(C2CCNCC2)c1.Cl.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is CMOBPCIHRKNXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O.ClH/c1-11-6-13(12-2-4-20-5-3-12)8-14(7-11)16(22)21-15-9-17(18,19)10-15;/h6-8,12,15,20H,2-5,9-10H2,1H3,(H,21,22);1H.
What are the key properties of N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride?
N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 344.83 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 165436162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).