N-[(1R,6S)-2,2-difluoro-6-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]cyclohexyl]-4-[5-[(1S,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-4-methylpiperidine-1-carboxamide

C26H41F3N6O2 — CID 167094963

IUPACN-[(1R,6S)-2,2-difluoro-6-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]cyclohexyl]-4-[5-[(1S,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-4-methylpiperidine-1-carboxamide
SMILESCC(C)N(C)C1CCN([C@H]2CCCC(F)(F)[C@@H]2NC(=O)N2CCC(C)(c3noc([C@@H]4C[C@@H]4F)n3)CC2)C1
InChIInChI=1S/C26H41F3N6O2/c1-16(2)33(4)17-7-11-35(15-17)20-6-5-8-26(28,29)21(20)30-24(36)34-12-9-25(3,10-13-34)23-31-22(37-32-23)18-14-19(18)27/h16-21H,5-15H2,1-4H3,(H,30,36)/t17?,18-,19+,20+,21-/m1/s1
InChIKeyLJVVJQJIPPBGCJ-GELOOBLNSA-N
MW526.65 g/mol
LogP3.93
Rot. Bonds6

About N-[(1R,6S)-2,2-difluoro-6-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]cyclohexyl]-4-[5-[(1S,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-4-methylpiperidine-1-carboxamide

N-[(1R,6S)-2,2-difluoro-6-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]cyclohexyl]-4-[5-[(1S,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-4-methylpiperidine-1-carboxamide (PubChem CID 167094963) has the molecular formula C26H41F3N6O2 and a molecular weight of 526.65 g/mol. Its IUPAC name is N-[(1R,6S)-2,2-difluoro-6-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]cyclohexyl]-4-[5-[(1S,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,6S)-2,2-difluoro-6-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]cyclohexyl]-4-[5-[(1S,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-4-methylpiperidine-1-carboxamide
PubChem CID167094963
Molecular FormulaC26H41F3N6O2
Molecular Weight526.65 g/mol
Exact Mass526.32
IUPAC NameN-[(1R,6S)-2,2-difluoro-6-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]cyclohexyl]-4-[5-[(1S,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-4-methylpiperidine-1-carboxamide
SMILESCC(C)N(C)C1CCN([C@H]2CCCC(F)(F)[C@@H]2NC(=O)N2CCC(C)(c3noc([C@@H]4C[C@@H]4F)n3)CC2)C1
InChIInChI=1S/C26H41F3N6O2/c1-16(2)33(4)17-7-11-35(15-17)20-6-5-8-26(28,29)21(20)30-24(36)34-12-9-25(3,10-13-34)23-31-22(37-32-23)18-14-19(18)27/h16-21H,5-15H2,1-4H3,(H,30,36)/t17?,18-,19+,20+,21-/m1/s1
InChIKeyLJVVJQJIPPBGCJ-GELOOBLNSA-N
XLogP3.93
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.65
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R,6S)-2,2-difluoro-6-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]cyclohexyl]-4-[5-[(1S,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-4-methylpiperidine-1-carboxamide 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,6S)-2,2-difluoro-6-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]cyclohexyl]-4-[5-[(1S,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(1R,6S)-2,2-difluoro-6-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]cyclohexyl]-4-[5-[(1S,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-4-methylpiperidine-1-carboxamide (CID 167094963) is N-[(1R,6S)-2,2-difluoro-6-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]cyclohexyl]-4-[5-[(1S,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(1R,6S)-2,2-difluoro-6-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]cyclohexyl]-4-[5-[(1S,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(1R,6S)-2,2-difluoro-6-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]cyclohexyl]-4-[5-[(1S,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-4-methylpiperidine-1-carboxamide is CC(C)N(C)C1CCN([C@H]2CCCC(F)(F)[C@@H]2NC(=O)N2CCC(C)(c3noc([C@@H]4C[C@@H]4F)n3)CC2)C1.
What is the InChIKey of N-[(1R,6S)-2,2-difluoro-6-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]cyclohexyl]-4-[5-[(1S,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-4-methylpiperidine-1-carboxamide?
The InChIKey is LJVVJQJIPPBGCJ-GELOOBLNSA-N. The full InChI is InChI=1S/C26H41F3N6O2/c1-16(2)33(4)17-7-11-35(15-17)20-6-5-8-26(28,29)21(20)30-24(36)34-12-9-25(3,10-13-34)23-31-22(37-32-23)18-14-19(18)27/h16-21H,5-15H2,1-4H3,(H,30,36)/t17?,18-,19+,20+,21-/m1/s1.
What are the key properties of N-[(1R,6S)-2,2-difluoro-6-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]cyclohexyl]-4-[5-[(1S,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-4-methylpiperidine-1-carboxamide?
N-[(1R,6S)-2,2-difluoro-6-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]cyclohexyl]-4-[5-[(1S,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-4-methylpiperidine-1-carboxamide has a molecular weight of 526.65 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,6S)-2,2-difluoro-6-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]cyclohexyl]-4-[5-[(1S,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 167094963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).