[(1R,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

C23H32N2O3 — CID 124726741

IUPAC[(1R,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESC[C@@H]1[C@H]2C[C@H](C[C@H]1OC(=O)C1CCN(C(=O)Nc3ccccc3)CC1)C2(C)C
InChIInChI=1S/C23H32N2O3/c1-15-19-13-17(23(19,2)3)14-20(15)28-21(26)16-9-11-25(12-10-16)22(27)24-18-7-5-4-6-8-18/h4-8,15-17,19-20H,9-14H2,1-3H3,(H,24,27)/t15-,17-,19-,20-/m1/s1
InChIKeyCJGSJLGOYGVJOU-RARDXLECSA-N
MW384.52 g/mol
LogP4.54
Rot. Bonds3

About [(1R,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

[(1R,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate (PubChem CID 124726741) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is [(1R,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[(1R,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
PubChem CID124726741
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name[(1R,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESC[C@@H]1[C@H]2C[C@H](C[C@H]1OC(=O)C1CCN(C(=O)Nc3ccccc3)CC1)C2(C)C
InChIInChI=1S/C23H32N2O3/c1-15-19-13-17(23(19,2)3)14-20(15)28-21(26)16-9-11-25(12-10-16)22(27)24-18-7-5-4-6-8-18/h4-8,15-17,19-20H,9-14H2,1-3H3,(H,24,27)/t15-,17-,19-,20-/m1/s1
InChIKeyCJGSJLGOYGVJOU-RARDXLECSA-N
XLogP4.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate with MolForge

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Related Compounds

(1-anilino-1-oxopropan-2-yl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 55320775
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CID 7836630
1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 2113074
[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7899067
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 30803642
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
4-(N'-hydroxycarbamimidoyl)-N-phenylpiperidine-1-carboxamide
CID 77038685
(3,3-dimethyl-2-oxobutyl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836704
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 8600791
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836659
[1-(cyclohexylamino)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 42902325

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of [(1R,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate (CID 124726741) is [(1R,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for [(1R,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for [(1R,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate is C[C@@H]1[C@H]2C[C@H](C[C@H]1OC(=O)C1CCN(C(=O)Nc3ccccc3)CC1)C2(C)C.
What is the InChIKey of [(1R,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is CJGSJLGOYGVJOU-RARDXLECSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-15-19-13-17(23(19,2)3)14-20(15)28-21(26)16-9-11-25(12-10-16)22(27)24-18-7-5-4-6-8-18/h4-8,15-17,19-20H,9-14H2,1-3H3,(H,24,27)/t15-,17-,19-,20-/m1/s1.
What are the key properties of [(1R,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
[(1R,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 384.52 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 124726741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).