4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

C18H27ClF2N2O4 — CID 119826418

IUPAC4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1cc(OC)c(OC(F)F)c(OC)c1)C1CCNCC1.Cl
InChIInChI=1S/C18H26F2N2O4.ClH/c1-4-9-22(13-5-7-21-8-6-13)17(23)12-10-14(24-2)16(26-18(19)20)15(11-12)25-3;/h10-11,13,18,21H,4-9H2,1-3H3;1H
InChIKeyNTJLOBHKYZTSJE-UHFFFAOYSA-N
MW408.87 g/mol
LogP3.33
Rot. Bonds8

About 4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (PubChem CID 119826418) has the molecular formula C18H27ClF2N2O4 and a molecular weight of 408.87 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
PubChem CID119826418
Molecular FormulaC18H27ClF2N2O4
Molecular Weight408.87 g/mol
Exact Mass408.16
IUPAC Name4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1cc(OC)c(OC(F)F)c(OC)c1)C1CCNCC1.Cl
InChIInChI=1S/C18H26F2N2O4.ClH/c1-4-9-22(13-5-7-21-8-6-13)17(23)12-10-14(24-2)16(26-18(19)20)15(11-12)25-3;/h10-11,13,18,21H,4-9H2,1-3H3;1H
InChIKeyNTJLOBHKYZTSJE-UHFFFAOYSA-N
XLogP3.33
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.87
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethoxy)-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide
CID 119825913
3,4,5-trimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530647
3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823113
3-acetamido-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119530168
3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532395
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825588
2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826026
N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide
CID 119825767
2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530172
4-(difluoromethoxy)-N,3,5-trimethyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444129
3-(cyclopropylsulfamoyl)-4-methoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824864

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The IUPAC name of 4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (CID 119826418) is 4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The canonical SMILES for 4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is CCCN(C(=O)c1cc(OC)c(OC(F)F)c(OC)c1)C1CCNCC1.Cl.
What is the InChIKey of 4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The InChIKey is NTJLOBHKYZTSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O4.ClH/c1-4-9-22(13-5-7-21-8-6-13)17(23)12-10-14(24-2)16(26-18(19)20)15(11-12)25-3;/h10-11,13,18,21H,4-9H2,1-3H3;1H.
What are the key properties of 4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride has a molecular weight of 408.87 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119826418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).