3-chloro-N-[[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-5-fluorobenzamide

C20H25ClF3N3O2 — CID 170152788

IUPAC3-chloro-N-[[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-5-fluorobenzamide
SMILESO=C(NCC1CCN(CC(=O)N2CCC(F)(F)CC2)CC1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C20H25ClF3N3O2/c21-16-9-15(10-17(22)11-16)19(29)25-12-14-1-5-26(6-2-14)13-18(28)27-7-3-20(23,24)4-8-27/h9-11,14H,1-8,12-13H2,(H,25,29)
InChIKeyDWEOGVQBAKOHRR-UHFFFAOYSA-N
MW431.89 g/mol
LogP3.18
Rot. Bonds5

About 3-chloro-N-[[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-5-fluorobenzamide

3-chloro-N-[[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-5-fluorobenzamide (PubChem CID 170152788) has the molecular formula C20H25ClF3N3O2 and a molecular weight of 431.89 g/mol. Its IUPAC name is 3-chloro-N-[[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-5-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-[[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-5-fluorobenzamide
PubChem CID170152788
Molecular FormulaC20H25ClF3N3O2
Molecular Weight431.89 g/mol
Exact Mass431.16
IUPAC Name3-chloro-N-[[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-5-fluorobenzamide
SMILESO=C(NCC1CCN(CC(=O)N2CCC(F)(F)CC2)CC1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C20H25ClF3N3O2/c21-16-9-15(10-17(22)11-16)19(29)25-12-14-1-5-26(6-2-14)13-18(28)27-7-3-20(23,24)4-8-27/h9-11,14H,1-8,12-13H2,(H,25,29)
InChIKeyDWEOGVQBAKOHRR-UHFFFAOYSA-N
XLogP3.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.89
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-5-fluorobenzamide?
The IUPAC name of 3-chloro-N-[[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-5-fluorobenzamide (CID 170152788) is 3-chloro-N-[[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-5-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-[[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-5-fluorobenzamide?
The canonical SMILES for 3-chloro-N-[[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-5-fluorobenzamide is O=C(NCC1CCN(CC(=O)N2CCC(F)(F)CC2)CC1)c1cc(F)cc(Cl)c1.
What is the InChIKey of 3-chloro-N-[[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-5-fluorobenzamide?
The InChIKey is DWEOGVQBAKOHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClF3N3O2/c21-16-9-15(10-17(22)11-16)19(29)25-12-14-1-5-26(6-2-14)13-18(28)27-7-3-20(23,24)4-8-27/h9-11,14H,1-8,12-13H2,(H,25,29).
What are the key properties of 3-chloro-N-[[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-5-fluorobenzamide?
3-chloro-N-[[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-5-fluorobenzamide has a molecular weight of 431.89 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-5-fluorobenzamide is sourced from PubChem (CID 170152788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).