[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C23H32N2O — CID 11537652

IUPAC[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCN1CCCCC1Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21
InChIInChI=1S/C23H32N2O/c1-22(2)21(23(22,3)4)20(26)18-15-25(19-12-7-6-11-17(18)19)14-16-10-8-9-13-24(16)5/h6-7,11-12,15-16,21H,8-10,13-14H2,1-5H3
InChIKeyMOBWRRIAIHYXLB-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.99
Rot. Bonds4

About [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 11537652) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID11537652
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCN1CCCCC1Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21
InChIInChI=1S/C23H32N2O/c1-22(2)21(23(22,3)4)20(26)18-15-25(19-12-7-6-11-17(18)19)14-16-10-8-9-13-24(16)5/h6-7,11-12,15-16,21H,8-10,13-14H2,1-5H3
InChIKeyMOBWRRIAIHYXLB-UHFFFAOYSA-N
XLogP4.99
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Jwh 122
CID 44466638
Jwh-200
CID 10045570
Xlr 11
CID 57501498
(1-(2-(4-Morpholinyl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11584525
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
AM 2201
CID 53393997
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
(R,S)-AM1241
CID 10141893
AM-694
CID 9889172
Jwh 203
CID 44397500

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 11537652) is [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CN1CCCCC1Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21.
What is the InChIKey of [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is MOBWRRIAIHYXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-22(2)21(23(22,3)4)20(26)18-15-25(19-12-7-6-11-17(18)19)14-16-10-8-9-13-24(16)5/h6-7,11-12,15-16,21H,8-10,13-14H2,1-5H3.
What are the key properties of [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 352.52 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 11537652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).