[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone

C13H21NO — CID 11871768

IUPAC[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone
SMILESO=C([C@H]1C[C@H]2CC[C@@H]1C2)N1CCCCC1
InChIInChI=1S/C13H21NO/c15-13(14-6-2-1-3-7-14)12-9-10-4-5-11(12)8-10/h10-12H,1-9H2/t10-,11+,12-/m0/s1
InChIKeyMOABDNRPQYWPMS-TUAOUCFPSA-N
MW207.32 g/mol
LogP2.44
Rot. Bonds1

About [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone

[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone (PubChem CID 11871768) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone
PubChem CID11871768
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone
SMILESO=C([C@H]1C[C@H]2CC[C@@H]1C2)N1CCCCC1
InChIInChI=1S/C13H21NO/c15-13(14-6-2-1-3-7-14)12-9-10-4-5-11(12)8-10/h10-12H,1-9H2/t10-,11+,12-/m0/s1
InChIKeyMOABDNRPQYWPMS-TUAOUCFPSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[(3S)-1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 129377734
[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone
CID 99726376
2-bicyclo[2.2.1]heptanyl-(4-chloropiperidin-1-yl)methanone
CID 63390766
1-(bicyclo[2.2.1]heptane-2-carbonyl)pyrrolidine-3-carboxamide
CID 56813699
(3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]pyrrolidine-3-carboxamide
CID 98763074
(3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-cyclopropylpiperidine-3-carboxamide
CID 100569886
1-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021690
ethyl (3S)-1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidine-3-carboxylate
CID 81344758
[4-(2-aminoethyl)-1,4-diazepan-1-yl]-(2-bicyclo[2.2.1]heptanyl)methanone
CID 61364523
[2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone
CID 109140675
2-bicyclo[2.2.1]heptanyl(pyrazolidin-1-yl)methanone
CID 131123694
2-bicyclo[2.2.1]heptanyl-[4-(propylamino)piperidin-1-yl]methanone
CID 61366100

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone?
The IUPAC name of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone (CID 11871768) is [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone?
The canonical SMILES for [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone is O=C([C@H]1C[C@H]2CC[C@@H]1C2)N1CCCCC1.
What is the InChIKey of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone?
The InChIKey is MOABDNRPQYWPMS-TUAOUCFPSA-N. The full InChI is InChI=1S/C13H21NO/c15-13(14-6-2-1-3-7-14)12-9-10-4-5-11(12)8-10/h10-12H,1-9H2/t10-,11+,12-/m0/s1.
What are the key properties of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone?
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone has a molecular weight of 207.32 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 11871768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).