N-[2-(cyclopropanecarbonyl)-6-morpholin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane

C27H47N3O3 — CID 162271549

IUPACN-[2-(cyclopropanecarbonyl)-6-morpholin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane
SMILESC.CC1(C)CCCN(CC(=O)NC2C(C(=O)C3CC3)CC3CCC(N4CCOCC4)CC32)C1
InChIInChI=1S/C26H43N3O3.CH4/c1-26(2)8-3-9-28(17-26)16-23(30)27-24-21-15-20(29-10-12-32-13-11-29)7-6-19(21)14-22(24)25(31)18-4-5-18;/h18-22,24H,3-17H2,1-2H3,(H,27,30);1H4
InChIKeyFJXAFEHVPODMHX-UHFFFAOYSA-N
MW461.69 g/mol
LogP3.35
Rot. Bonds6

About N-[2-(cyclopropanecarbonyl)-6-morpholin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane

N-[2-(cyclopropanecarbonyl)-6-morpholin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane (PubChem CID 162271549) has the molecular formula C27H47N3O3 and a molecular weight of 461.69 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonyl)-6-morpholin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonyl)-6-morpholin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane
PubChem CID162271549
Molecular FormulaC27H47N3O3
Molecular Weight461.69 g/mol
Exact Mass461.36
IUPAC NameN-[2-(cyclopropanecarbonyl)-6-morpholin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane
SMILESC.CC1(C)CCCN(CC(=O)NC2C(C(=O)C3CC3)CC3CCC(N4CCOCC4)CC32)C1
InChIInChI=1S/C26H43N3O3.CH4/c1-26(2)8-3-9-28(17-26)16-23(30)27-24-21-15-20(29-10-12-32-13-11-29)7-6-19(21)14-22(24)25(31)18-4-5-18;/h18-22,24H,3-17H2,1-2H3,(H,27,30);1H4
InChIKeyFJXAFEHVPODMHX-UHFFFAOYSA-N
XLogP3.35
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.69
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(cyclopropanecarbonyl)-6-morpholin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonyl)-6-morpholin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane?
The IUPAC name of N-[2-(cyclopropanecarbonyl)-6-morpholin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane (CID 162271549) is N-[2-(cyclopropanecarbonyl)-6-morpholin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane.
What is the SMILES notation for N-[2-(cyclopropanecarbonyl)-6-morpholin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane?
The canonical SMILES for N-[2-(cyclopropanecarbonyl)-6-morpholin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane is C.CC1(C)CCCN(CC(=O)NC2C(C(=O)C3CC3)CC3CCC(N4CCOCC4)CC32)C1.
What is the InChIKey of N-[2-(cyclopropanecarbonyl)-6-morpholin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane?
The InChIKey is FJXAFEHVPODMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N3O3.CH4/c1-26(2)8-3-9-28(17-26)16-23(30)27-24-21-15-20(29-10-12-32-13-11-29)7-6-19(21)14-22(24)25(31)18-4-5-18;/h18-22,24H,3-17H2,1-2H3,(H,27,30);1H4.
What are the key properties of N-[2-(cyclopropanecarbonyl)-6-morpholin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane?
N-[2-(cyclopropanecarbonyl)-6-morpholin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane has a molecular weight of 461.69 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonyl)-6-morpholin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane is sourced from PubChem (CID 162271549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).