[(1R,2S,5R,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate

C20H28N2O2 — CID 99720110

IUPAC[(1R,2S,5R,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@@H]1[C@@H]2CC[C@@H]1[C@@H](N1CCCCC1)CC2
InChIInChI=1S/C20H28N2O2/c23-20(21-16-7-3-1-4-8-16)24-19-15-9-11-17(19)18(12-10-15)22-13-5-2-6-14-22/h1,3-4,7-8,15,17-19H,2,5-6,9-14H2,(H,21,23)/t15-,17-,18+,19-/m1/s1
InChIKeyWALSPJVXZJWMIB-OQIJWPOYSA-N
MW328.46 g/mol
LogP4.28
Rot. Bonds3

About [(1R,2S,5R,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate

[(1R,2S,5R,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate (PubChem CID 99720110) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is [(1R,2S,5R,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate.

Molecular Properties

Compound Name[(1R,2S,5R,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate
PubChem CID99720110
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name[(1R,2S,5R,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@@H]1[C@@H]2CC[C@@H]1[C@@H](N1CCCCC1)CC2
InChIInChI=1S/C20H28N2O2/c23-20(21-16-7-3-1-4-8-16)24-19-15-9-11-17(19)18(12-10-15)22-13-5-2-6-14-22/h1,3-4,7-8,15,17-19H,2,5-6,9-14H2,(H,21,23)/t15-,17-,18+,19-/m1/s1
InChIKeyWALSPJVXZJWMIB-OQIJWPOYSA-N
XLogP4.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,2S,5R,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate with MolForge

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Related Compounds

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CID 125470128
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[(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate
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[(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate
CID 101414086
N-phenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-9-carboxamide
CID 4164736
(4-oxocyclohexyl) N-phenylcarbamate
CID 5238930
[(1R,2R,3R,4S,5R,6R)-5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate
CID 23229913
oxetan-3-yl N-phenylcarbamate
CID 54313632
N-[(1R,2S)-2-piperidin-1-ylcyclopentyl]aniline
CID 86338512
N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23140407
[(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate
CID 5381423
[(1S,2S)-2-piperidin-1-ylcyclohexyl] N-(4-hexoxyphenyl)carbamate;hydrochloride
CID 138399374

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate?
The IUPAC name of [(1R,2S,5R,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate (CID 99720110) is [(1R,2S,5R,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate.
What is the SMILES notation for [(1R,2S,5R,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate?
The canonical SMILES for [(1R,2S,5R,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate is O=C(Nc1ccccc1)O[C@@H]1[C@@H]2CC[C@@H]1[C@@H](N1CCCCC1)CC2.
What is the InChIKey of [(1R,2S,5R,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate?
The InChIKey is WALSPJVXZJWMIB-OQIJWPOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-20(21-16-7-3-1-4-8-16)24-19-15-9-11-17(19)18(12-10-15)22-13-5-2-6-14-22/h1,3-4,7-8,15,17-19H,2,5-6,9-14H2,(H,21,23)/t15-,17-,18+,19-/m1/s1.
What are the key properties of [(1R,2S,5R,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate?
[(1R,2S,5R,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate has a molecular weight of 328.46 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate is sourced from PubChem (CID 99720110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).