trans-(1R,2R)-2-(2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide

C20H30N2O — CID 167824410

IUPACtrans-(1R,2R)-2-(2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide
SMILESCc1ccccc1[C@@H]1C[C@H]1C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C20H30N2O/c1-13-8-6-7-9-15(13)16-10-17(16)18(23)21-14-11-19(2,3)22-20(4,5)12-14/h6-9,14,16-17,22H,10-12H2,1-5H3,(H,21,23)/t16-,17+/m0/s1
InChIKeyXYYSJOROUKLXCF-DLBZAZTESA-N
MW314.47 g/mol
LogP3.52
Rot. Bonds3

About trans-(1R,2R)-2-(2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-(2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide (PubChem CID 167824410) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide
PubChem CID167824410
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Nametrans-(1R,2R)-2-(2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide
SMILESCc1ccccc1[C@@H]1C[C@H]1C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C20H30N2O/c1-13-8-6-7-9-15(13)16-10-17(16)18(23)21-14-11-19(2,3)22-20(4,5)12-14/h6-9,14,16-17,22H,10-12H2,1-5H3,(H,21,23)/t16-,17+/m0/s1
InChIKeyXYYSJOROUKLXCF-DLBZAZTESA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide (CID 167824410) is trans-(1R,2R)-2-(2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide is Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of trans-(1R,2R)-2-(2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide?
The InChIKey is XYYSJOROUKLXCF-DLBZAZTESA-N. The full InChI is InChI=1S/C20H30N2O/c1-13-8-6-7-9-15(13)16-10-17(16)18(23)21-14-11-19(2,3)22-20(4,5)12-14/h6-9,14,16-17,22H,10-12H2,1-5H3,(H,21,23)/t16-,17+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide has a molecular weight of 314.47 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 167824410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).