N-[[(1R)-3,3-difluorocyclopentyl]methyl]-4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide

C22H30F2N2O3 — CID 100649511

IUPACN-[[(1R)-3,3-difluorocyclopentyl]methyl]-4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NC[C@@H]2CCC(F)(F)C2)cc1
InChIInChI=1S/C22H30F2N2O3/c1-15-4-3-5-16(2)26(15)20(27)14-29-19-8-6-18(7-9-19)21(28)25-13-17-10-11-22(23,24)12-17/h6-9,15-17H,3-5,10-14H2,1-2H3,(H,25,28)/t15-,16-,17-/m1/s1
InChIKeyOHUSAOQJNFNXRK-BRWVUGGUSA-N
MW408.49 g/mol
LogP4.02
Rot. Bonds6

About N-[[(1R)-3,3-difluorocyclopentyl]methyl]-4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide

N-[[(1R)-3,3-difluorocyclopentyl]methyl]-4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide (PubChem CID 100649511) has the molecular formula C22H30F2N2O3 and a molecular weight of 408.49 g/mol. Its IUPAC name is N-[[(1R)-3,3-difluorocyclopentyl]methyl]-4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[[(1R)-3,3-difluorocyclopentyl]methyl]-4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide
PubChem CID100649511
Molecular FormulaC22H30F2N2O3
Molecular Weight408.49 g/mol
Exact Mass408.22
IUPAC NameN-[[(1R)-3,3-difluorocyclopentyl]methyl]-4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NC[C@@H]2CCC(F)(F)C2)cc1
InChIInChI=1S/C22H30F2N2O3/c1-15-4-3-5-16(2)26(15)20(27)14-29-19-8-6-18(7-9-19)21(28)25-13-17-10-11-22(23,24)12-17/h6-9,15-17H,3-5,10-14H2,1-2H3,(H,25,28)/t15-,16-,17-/m1/s1
InChIKeyOHUSAOQJNFNXRK-BRWVUGGUSA-N
XLogP4.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(1R)-3,3-difluorocyclopentyl]methyl]-4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-3,3-difluorocyclopentyl]methyl]-4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide?
The IUPAC name of N-[[(1R)-3,3-difluorocyclopentyl]methyl]-4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide (CID 100649511) is N-[[(1R)-3,3-difluorocyclopentyl]methyl]-4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[[(1R)-3,3-difluorocyclopentyl]methyl]-4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide?
The canonical SMILES for N-[[(1R)-3,3-difluorocyclopentyl]methyl]-4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide is C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NC[C@@H]2CCC(F)(F)C2)cc1.
What is the InChIKey of N-[[(1R)-3,3-difluorocyclopentyl]methyl]-4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide?
The InChIKey is OHUSAOQJNFNXRK-BRWVUGGUSA-N. The full InChI is InChI=1S/C22H30F2N2O3/c1-15-4-3-5-16(2)26(15)20(27)14-29-19-8-6-18(7-9-19)21(28)25-13-17-10-11-22(23,24)12-17/h6-9,15-17H,3-5,10-14H2,1-2H3,(H,25,28)/t15-,16-,17-/m1/s1.
What are the key properties of N-[[(1R)-3,3-difluorocyclopentyl]methyl]-4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide?
N-[[(1R)-3,3-difluorocyclopentyl]methyl]-4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide has a molecular weight of 408.49 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-3,3-difluorocyclopentyl]methyl]-4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 100649511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).