(1S,4S)-4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide

C20H34N2O2 — CID 98124476

IUPAC(1S,4S)-4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)CC(NC(=O)[C@@]23CC[C@](C)(C(=O)C2)C3(C)C)CC(C)(C)N1
InChIInChI=1S/C20H34N2O2/c1-16(2)10-13(11-17(3,4)22-16)21-15(24)20-9-8-19(7,14(23)12-20)18(20,5)6/h13,22H,8-12H2,1-7H3,(H,21,24)/t19-,20-/m1/s1
InChIKeyONQAYZAARFLCHV-WOJBJXKFSA-N
MW334.50 g/mol
LogP3.20
Rot. Bonds2

About (1S,4S)-4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide

(1S,4S)-4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 98124476) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is (1S,4S)-4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1S,4S)-4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide
PubChem CID98124476
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name(1S,4S)-4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)CC(NC(=O)[C@@]23CC[C@](C)(C(=O)C2)C3(C)C)CC(C)(C)N1
InChIInChI=1S/C20H34N2O2/c1-16(2)10-13(11-17(3,4)22-16)21-15(24)20-9-8-19(7,14(23)12-20)18(20,5)6/h13,22H,8-12H2,1-7H3,(H,21,24)/t19-,20-/m1/s1
InChIKeyONQAYZAARFLCHV-WOJBJXKFSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1S,4S)-4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide (CID 98124476) is (1S,4S)-4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1S,4S)-4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1S,4S)-4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide is CC1(C)CC(NC(=O)[C@@]23CC[C@](C)(C(=O)C2)C3(C)C)CC(C)(C)N1.
What is the InChIKey of (1S,4S)-4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is ONQAYZAARFLCHV-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-16(2)10-13(11-17(3,4)22-16)21-15(24)20-9-8-19(7,14(23)12-20)18(20,5)6/h13,22H,8-12H2,1-7H3,(H,21,24)/t19-,20-/m1/s1.
What are the key properties of (1S,4S)-4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide?
(1S,4S)-4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 334.50 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 98124476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).