[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-1,3-dihydroinden-2-yl)methanone

C21H30N2O2 — CID 26398421

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-1,3-dihydroinden-2-yl)methanone
SMILESC[C@@H]1CN(C(=O)C2(N3CCCCC3)Cc3ccccc3C2)C[C@H](C)O1
InChIInChI=1S/C21H30N2O2/c1-16-14-22(15-17(2)25-16)20(24)21(23-10-6-3-7-11-23)12-18-8-4-5-9-19(18)13-21/h4-5,8-9,16-17H,3,6-7,10-15H2,1-2H3/t16-,17+
InChIKeySTEKYGDNJNKAEX-CALCHBBNSA-N
MW342.48 g/mol
LogP2.65
Rot. Bonds2

About [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-1,3-dihydroinden-2-yl)methanone

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-1,3-dihydroinden-2-yl)methanone (PubChem CID 26398421) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-1,3-dihydroinden-2-yl)methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-1,3-dihydroinden-2-yl)methanone
PubChem CID26398421
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-1,3-dihydroinden-2-yl)methanone
SMILESC[C@@H]1CN(C(=O)C2(N3CCCCC3)Cc3ccccc3C2)C[C@H](C)O1
InChIInChI=1S/C21H30N2O2/c1-16-14-22(15-17(2)25-16)20(24)21(23-10-6-3-7-11-23)12-18-8-4-5-9-19(18)13-21/h4-5,8-9,16-17H,3,6-7,10-15H2,1-2H3/t16-,17+
InChIKeySTEKYGDNJNKAEX-CALCHBBNSA-N
XLogP2.65
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-1,3-dihydroinden-2-yl)methanone with MolForge

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Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)-9H-fluorene-9-carboxamide
CID 2459059
N-methyl-2-[(4-methyl-1-piperazinyl)carbonyl]-N-(2-phenylethyl)-2-indanamine
CID 56898469
Methanone, (2-indanyl)(4-morpholyl)-
CID 576078
4-Morpholineacetamide, N-(1,3-dioxo-2-ethyl-2-indanyl)-N-methyl-
CID 3042221
N-ethyl-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)-2-(4-morpholinyl)acetamide
CID 15945623
(3S)-1-({2-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-2,3-dihydro-1H-inden-2-yl}carbonyl)-3-pyrrolidinol
CID 25279092
N-[2-(acetylamino)ethyl]-2-(1-piperidinyl)-2-indanecarboxamide
CID 26327603
(2R*,6S*)-2,6-dimethyl-4-[2-(4-thiomorpholinylcarbonyl)-2,3-dihydro-1H-inden-2-yl]morpholine
CID 28311899
1-({2-[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]-2,3-dihydro-1H-inden-2-yl}carbonyl)azepane
CID 28392187
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-(1-piperidinyl)-2-indanecarboxamide
CID 42211217
2-[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]-N,N-dimethyl-2-indanecarboxamide
CID 56886738
2-(1-piperidinyl)-N-4-piperidinyl-2-indanecarboxamide
CID 56898521

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-1,3-dihydroinden-2-yl)methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-1,3-dihydroinden-2-yl)methanone (CID 26398421) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-1,3-dihydroinden-2-yl)methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-1,3-dihydroinden-2-yl)methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-1,3-dihydroinden-2-yl)methanone is C[C@@H]1CN(C(=O)C2(N3CCCCC3)Cc3ccccc3C2)C[C@H](C)O1.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-1,3-dihydroinden-2-yl)methanone?
The InChIKey is STEKYGDNJNKAEX-CALCHBBNSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16-14-22(15-17(2)25-16)20(24)21(23-10-6-3-7-11-23)12-18-8-4-5-9-19(18)13-21/h4-5,8-9,16-17H,3,6-7,10-15H2,1-2H3/t16-,17+.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-1,3-dihydroinden-2-yl)methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-1,3-dihydroinden-2-yl)methanone has a molecular weight of 342.48 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-1,3-dihydroinden-2-yl)methanone is sourced from PubChem (CID 26398421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).