4-(difluoromethoxy)-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide

C18H26F2N2O2 — CID 119825913

IUPAC4-(difluoromethoxy)-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(C)c(OC(F)F)c(C)c1)C1CCNCC1
InChIInChI=1S/C18H26F2N2O2/c1-4-9-22(15-5-7-21-8-6-15)17(23)14-10-12(2)16(13(3)11-14)24-18(19)20/h10-11,15,18,21H,4-9H2,1-3H3
InChIKeyOXARQBQVEQNFPO-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.51
Rot. Bonds6

About 4-(difluoromethoxy)-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide

4-(difluoromethoxy)-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide (PubChem CID 119825913) has the molecular formula C18H26F2N2O2 and a molecular weight of 340.41 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide
PubChem CID119825913
Molecular FormulaC18H26F2N2O2
Molecular Weight340.41 g/mol
Exact Mass340.20
IUPAC Name4-(difluoromethoxy)-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(C)c(OC(F)F)c(C)c1)C1CCNCC1
InChIInChI=1S/C18H26F2N2O2/c1-4-9-22(15-5-7-21-8-6-15)17(23)14-10-12(2)16(13(3)11-14)24-18(19)20/h10-11,15,18,21H,4-9H2,1-3H3
InChIKeyOXARQBQVEQNFPO-UHFFFAOYSA-N
XLogP3.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide?
The IUPAC name of 4-(difluoromethoxy)-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide (CID 119825913) is 4-(difluoromethoxy)-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide?
The canonical SMILES for 4-(difluoromethoxy)-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide is CCCN(C(=O)c1cc(C)c(OC(F)F)c(C)c1)C1CCNCC1.
What is the InChIKey of 4-(difluoromethoxy)-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide?
The InChIKey is OXARQBQVEQNFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O2/c1-4-9-22(15-5-7-21-8-6-15)17(23)14-10-12(2)16(13(3)11-14)24-18(19)20/h10-11,15,18,21H,4-9H2,1-3H3.
What are the key properties of 4-(difluoromethoxy)-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide?
4-(difluoromethoxy)-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide has a molecular weight of 340.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide is sourced from PubChem (CID 119825913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).