trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide

C20H28F2N2O2 — CID 167966999

IUPACtrans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide
SMILESCC1(C)CC(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)CC(C)(C)N1
InChIInChI=1S/C20H28F2N2O2/c1-19(2)10-13(11-20(3,4)24-19)23-17(25)16-9-15(16)12-5-7-14(8-6-12)26-18(21)22/h5-8,13,15-16,18,24H,9-11H2,1-4H3,(H,23,25)/t15-,16+/m0/s1
InChIKeyZUTJZJHGANNIRK-JKSUJKDBSA-N
MW366.45 g/mol
LogP3.82
Rot. Bonds5

About trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide (PubChem CID 167966999) has the molecular formula C20H28F2N2O2 and a molecular weight of 366.45 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide
PubChem CID167966999
Molecular FormulaC20H28F2N2O2
Molecular Weight366.45 g/mol
Exact Mass366.21
IUPAC Nametrans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide
SMILESCC1(C)CC(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)CC(C)(C)N1
InChIInChI=1S/C20H28F2N2O2/c1-19(2)10-13(11-20(3,4)24-19)23-17(25)16-9-15(16)12-5-7-14(8-6-12)26-18(21)22/h5-8,13,15-16,18,24H,9-11H2,1-4H3,(H,23,25)/t15-,16+/m0/s1
InChIKeyZUTJZJHGANNIRK-JKSUJKDBSA-N
XLogP3.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

trans-(1R,2R)-2-(2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 167824410
trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide
CID 138012482
trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(1,5-dimethyltriazol-4-yl)cyclopropane-1-carboxamide
CID 138012251
2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
CID 21190507
cis-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropan-1-amine
CID 51888254
trans-(1R,2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 30254146
N-(2-methylpiperidin-4-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 120600612
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 119456975
N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide
CID 5162241
cis-(1S,2R)-N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95346231
2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 113225451
N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopentanecarboxamide
CID 14697374

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide (CID 167966999) is trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide is CC1(C)CC(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)CC(C)(C)N1.
What is the InChIKey of trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide?
The InChIKey is ZUTJZJHGANNIRK-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H28F2N2O2/c1-19(2)10-13(11-20(3,4)24-19)23-17(25)16-9-15(16)12-5-7-14(8-6-12)26-18(21)22/h5-8,13,15-16,18,24H,9-11H2,1-4H3,(H,23,25)/t15-,16+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 167966999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).