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

C26H43N3O3 — CID 162271550

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
SMILESCC1(C)CCCN(CC(=O)NC2C(C(=O)C3CC3)CC3CCC(N4CCOCC4)CC32)C1
InChIInChI=1S/C26H43N3O3/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)
InChIKeyYVEGWXFWWMSPIW-UHFFFAOYSA-N
MW445.65 g/mol
LogP2.71
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

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 (PubChem CID 162271550) has the molecular formula C26H43N3O3 and a molecular weight of 445.65 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.

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
PubChem CID162271550
Molecular FormulaC26H43N3O3
Molecular Weight445.65 g/mol
Exact Mass445.33
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
SMILESCC1(C)CCCN(CC(=O)NC2C(C(=O)C3CC3)CC3CCC(N4CCOCC4)CC32)C1
InChIInChI=1S/C26H43N3O3/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)
InChIKeyYVEGWXFWWMSPIW-UHFFFAOYSA-N
XLogP2.71
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.65
LogP ≤ 52.71
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 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?
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 (CID 162271550) 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.
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?
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 is 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?
The InChIKey is YVEGWXFWWMSPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N3O3/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).
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?
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 has a molecular weight of 445.65 g/mol, XLogP of 2.71, 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 is sourced from PubChem (CID 162271550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).