[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone

C18H30N2O2 — CID 97235878

IUPAC[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone
SMILESO=C(C1[C@H]2CCC[C@@H]12)N1CC[C@H](OCCN2CCCCC2)C1
InChIInChI=1S/C18H30N2O2/c21-18(17-15-5-4-6-16(15)17)20-10-7-14(13-20)22-12-11-19-8-2-1-3-9-19/h14-17H,1-13H2/t14-,15-,16+,17?/m0/s1
InChIKeySEPQGSWWISZBSV-PMRDEQMMSA-N
MW306.45 g/mol
LogP2.14
Rot. Bonds5

About [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone

[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone (PubChem CID 97235878) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone
PubChem CID97235878
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone
SMILESO=C(C1[C@H]2CCC[C@@H]12)N1CC[C@H](OCCN2CCCCC2)C1
InChIInChI=1S/C18H30N2O2/c21-18(17-15-5-4-6-16(15)17)20-10-7-14(13-20)22-12-11-19-8-2-1-3-9-19/h14-17H,1-13H2/t14-,15-,16+,17?/m0/s1
InChIKeySEPQGSWWISZBSV-PMRDEQMMSA-N
XLogP2.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone?
The IUPAC name of [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone (CID 97235878) is [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone is O=C(C1[C@H]2CCC[C@@H]12)N1CC[C@H](OCCN2CCCCC2)C1.
What is the InChIKey of [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone?
The InChIKey is SEPQGSWWISZBSV-PMRDEQMMSA-N. The full InChI is InChI=1S/C18H30N2O2/c21-18(17-15-5-4-6-16(15)17)20-10-7-14(13-20)22-12-11-19-8-2-1-3-9-19/h14-17H,1-13H2/t14-,15-,16+,17?/m0/s1.
What are the key properties of [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone?
[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone has a molecular weight of 306.45 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97235878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).