4-(difluoromethoxy)-N,3,5-trimethyl-N-piperidin-4-ylbenzamide;hydrochloride

C16H23ClF2N2O2 — CID 119444129

IUPAC4-(difluoromethoxy)-N,3,5-trimethyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1cc(C(=O)N(C)C2CCNCC2)cc(C)c1OC(F)F.Cl
InChIInChI=1S/C16H22F2N2O2.ClH/c1-10-8-12(9-11(2)14(10)22-16(17)18)15(21)20(3)13-4-6-19-7-5-13;/h8-9,13,16,19H,4-7H2,1-3H3;1H
InChIKeyKXOARARNUYZBET-UHFFFAOYSA-N
MW348.82 g/mol
LogP3.15
Rot. Bonds4

About 4-(difluoromethoxy)-N,3,5-trimethyl-N-piperidin-4-ylbenzamide;hydrochloride

4-(difluoromethoxy)-N,3,5-trimethyl-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119444129) has the molecular formula C16H23ClF2N2O2 and a molecular weight of 348.82 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N,3,5-trimethyl-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(difluoromethoxy)-N,3,5-trimethyl-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119444129
Molecular FormulaC16H23ClF2N2O2
Molecular Weight348.82 g/mol
Exact Mass348.14
IUPAC Name4-(difluoromethoxy)-N,3,5-trimethyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1cc(C(=O)N(C)C2CCNCC2)cc(C)c1OC(F)F.Cl
InChIInChI=1S/C16H22F2N2O2.ClH/c1-10-8-12(9-11(2)14(10)22-16(17)18)15(21)20(3)13-4-6-19-7-5-13;/h8-9,13,16,19H,4-7H2,1-3H3;1H
InChIKeyKXOARARNUYZBET-UHFFFAOYSA-N
XLogP3.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethoxy)-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide
CID 119825913
N,3,5-trimethyl-N-piperidin-4-ylbenzamide
CID 43602069
3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442005
N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide
CID 119442576
3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide
CID 114022754
N,3,4-trimethyl-N-piperidin-4-yl-5-sulfamoylbenzamide
CID 119443970
4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826418
N,3,5-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551819
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443676
3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 63298248
5-iodo-N-methyl-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride
CID 119441879

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N,3,5-trimethyl-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 4-(difluoromethoxy)-N,3,5-trimethyl-N-piperidin-4-ylbenzamide;hydrochloride (CID 119444129) is 4-(difluoromethoxy)-N,3,5-trimethyl-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-(difluoromethoxy)-N,3,5-trimethyl-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 4-(difluoromethoxy)-N,3,5-trimethyl-N-piperidin-4-ylbenzamide;hydrochloride is Cc1cc(C(=O)N(C)C2CCNCC2)cc(C)c1OC(F)F.Cl.
What is the InChIKey of 4-(difluoromethoxy)-N,3,5-trimethyl-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is KXOARARNUYZBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2.ClH/c1-10-8-12(9-11(2)14(10)22-16(17)18)15(21)20(3)13-4-6-19-7-5-13;/h8-9,13,16,19H,4-7H2,1-3H3;1H.
What are the key properties of 4-(difluoromethoxy)-N,3,5-trimethyl-N-piperidin-4-ylbenzamide;hydrochloride?
4-(difluoromethoxy)-N,3,5-trimethyl-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 348.82 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N,3,5-trimethyl-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119444129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).