N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C18H32N2O — CID 131937341

IUPACN-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(CC(=O)N[C@@H]2C[C@@H]3CC[C@H]2C3)CC(C)(C)N1
InChIInChI=1S/C18H32N2O/c1-17(2)10-13(11-18(3,4)20-17)9-16(21)19-15-8-12-5-6-14(15)7-12/h12-15,20H,5-11H2,1-4H3,(H,19,21)/t12-,14+,15-/m1/s1
InChIKeyHYRQPWFRHQWGBP-VHDGCEQUSA-N
MW292.47 g/mol
LogP3.24
Rot. Bonds3

About N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 131937341) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID131937341
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(CC(=O)N[C@@H]2C[C@@H]3CC[C@H]2C3)CC(C)(C)N1
InChIInChI=1S/C18H32N2O/c1-17(2)10-13(11-18(3,4)20-17)9-16(21)19-15-8-12-5-6-14(15)7-12/h12-15,20H,5-11H2,1-4H3,(H,19,21)/t12-,14+,15-/m1/s1
InChIKeyHYRQPWFRHQWGBP-VHDGCEQUSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 131937341) is N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CC1(C)CC(CC(=O)N[C@@H]2C[C@@H]3CC[C@H]2C3)CC(C)(C)N1.
What is the InChIKey of N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is HYRQPWFRHQWGBP-VHDGCEQUSA-N. The full InChI is InChI=1S/C18H32N2O/c1-17(2)10-13(11-18(3,4)20-17)9-16(21)19-15-8-12-5-6-14(15)7-12/h12-15,20H,5-11H2,1-4H3,(H,19,21)/t12-,14+,15-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 292.47 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 131937341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).