[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone

C20H34N2O — CID 99849066

IUPAC[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone
SMILESC[C@H]1CCCCN1CCC1CCN(C(=O)C2[C@H]3CCC[C@@H]23)CC1
InChIInChI=1S/C20H34N2O/c1-15-5-2-3-11-21(15)12-8-16-9-13-22(14-10-16)20(23)19-17-6-4-7-18(17)19/h15-19H,2-14H2,1H3/t15-,17-,18+,19?/m0/s1
InChIKeyQTXNORNKKJSXIR-UBLGTCEWSA-N
MW318.51 g/mol
LogP3.54
Rot. Bonds4

About [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone

[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone (PubChem CID 99849066) has the molecular formula C20H34N2O and a molecular weight of 318.51 g/mol. Its IUPAC name is [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone
PubChem CID99849066
Molecular FormulaC20H34N2O
Molecular Weight318.51 g/mol
Exact Mass318.27
IUPAC Name[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone
SMILESC[C@H]1CCCCN1CCC1CCN(C(=O)C2[C@H]3CCC[C@@H]23)CC1
InChIInChI=1S/C20H34N2O/c1-15-5-2-3-11-21(15)12-8-16-9-13-22(14-10-16)20(23)19-17-6-4-7-18(17)19/h15-19H,2-14H2,1H3/t15-,17-,18+,19?/m0/s1
InChIKeyQTXNORNKKJSXIR-UBLGTCEWSA-N
XLogP3.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

2-(methylamino)-1-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
CID 120705054
3-methoxy-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one
CID 97092346
(2S)-2-amino-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]pentan-1-one
CID 129425239
N-methyl-3-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]propanamide
CID 71916708
7-bicyclo[4.1.0]heptanyl-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113340532
azepan-1-yl(6-bicyclo[3.1.0]hexanyl)methanone
CID 79600645
aziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone
CID 130667355
1-[2-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 97023506
4-[[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]methyl]benzoic acid
CID 122029347
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454
ethyl 1-(bicyclo[4.1.0]heptane-7-carbonyl)piperidine-4-carboxylate
CID 79140194
7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81478563

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone?
The IUPAC name of [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone (CID 99849066) is [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone is C[C@H]1CCCCN1CCC1CCN(C(=O)C2[C@H]3CCC[C@@H]23)CC1.
What is the InChIKey of [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone?
The InChIKey is QTXNORNKKJSXIR-UBLGTCEWSA-N. The full InChI is InChI=1S/C20H34N2O/c1-15-5-2-3-11-21(15)12-8-16-9-13-22(14-10-16)20(23)19-17-6-4-7-18(17)19/h15-19H,2-14H2,1H3/t15-,17-,18+,19?/m0/s1.
What are the key properties of [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone?
[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone has a molecular weight of 318.51 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 99849066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).