methane;methyl 1-[[2-(4-cyclohexylpiperidin-1-yl)acetyl]amino]-6-(3-methylmorpholin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate

C30H53N3O4 — CID 162272040

IUPACmethane;methyl 1-[[2-(4-cyclohexylpiperidin-1-yl)acetyl]amino]-6-(3-methylmorpholin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate
SMILESC.COC(=O)C1CC2CCC(N3CCOCC3C)CC2C1NC(=O)CN1CCC(C2CCCCC2)CC1
InChIInChI=1S/C29H49N3O4.CH4/c1-20-19-36-15-14-32(20)24-9-8-23-16-26(29(34)35-2)28(25(23)17-24)30-27(33)18-31-12-10-22(11-13-31)21-6-4-3-5-7-21;/h20-26,28H,3-19H2,1-2H3,(H,30,33);1H4
InChIKeyWWPQCWKZAQXHKR-UHFFFAOYSA-N
MW519.77 g/mol
LogP4.10
Rot. Bonds6

About methane;methyl 1-[[2-(4-cyclohexylpiperidin-1-yl)acetyl]amino]-6-(3-methylmorpholin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate

methane;methyl 1-[[2-(4-cyclohexylpiperidin-1-yl)acetyl]amino]-6-(3-methylmorpholin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate (PubChem CID 162272040) has the molecular formula C30H53N3O4 and a molecular weight of 519.77 g/mol. Its IUPAC name is methane;methyl 1-[[2-(4-cyclohexylpiperidin-1-yl)acetyl]amino]-6-(3-methylmorpholin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate.

Molecular Properties

Compound Namemethane;methyl 1-[[2-(4-cyclohexylpiperidin-1-yl)acetyl]amino]-6-(3-methylmorpholin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate
PubChem CID162272040
Molecular FormulaC30H53N3O4
Molecular Weight519.77 g/mol
Exact Mass519.40
IUPAC Namemethane;methyl 1-[[2-(4-cyclohexylpiperidin-1-yl)acetyl]amino]-6-(3-methylmorpholin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate
SMILESC.COC(=O)C1CC2CCC(N3CCOCC3C)CC2C1NC(=O)CN1CCC(C2CCCCC2)CC1
InChIInChI=1S/C29H49N3O4.CH4/c1-20-19-36-15-14-32(20)24-9-8-23-16-26(29(34)35-2)28(25(23)17-24)30-27(33)18-31-12-10-22(11-13-31)21-6-4-3-5-7-21;/h20-26,28H,3-19H2,1-2H3,(H,30,33);1H4
InChIKeyWWPQCWKZAQXHKR-UHFFFAOYSA-N
XLogP4.10
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.77
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methane;methyl 1-[[2-(4-cyclohexylpiperidin-1-yl)acetyl]amino]-6-(3-methylmorpholin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;methyl 1-[[2-(4-cyclohexylpiperidin-1-yl)acetyl]amino]-6-(3-methylmorpholin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate?
The IUPAC name of methane;methyl 1-[[2-(4-cyclohexylpiperidin-1-yl)acetyl]amino]-6-(3-methylmorpholin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate (CID 162272040) is methane;methyl 1-[[2-(4-cyclohexylpiperidin-1-yl)acetyl]amino]-6-(3-methylmorpholin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate.
What is the SMILES notation for methane;methyl 1-[[2-(4-cyclohexylpiperidin-1-yl)acetyl]amino]-6-(3-methylmorpholin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate?
The canonical SMILES for methane;methyl 1-[[2-(4-cyclohexylpiperidin-1-yl)acetyl]amino]-6-(3-methylmorpholin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate is C.COC(=O)C1CC2CCC(N3CCOCC3C)CC2C1NC(=O)CN1CCC(C2CCCCC2)CC1.
What is the InChIKey of methane;methyl 1-[[2-(4-cyclohexylpiperidin-1-yl)acetyl]amino]-6-(3-methylmorpholin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate?
The InChIKey is WWPQCWKZAQXHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H49N3O4.CH4/c1-20-19-36-15-14-32(20)24-9-8-23-16-26(29(34)35-2)28(25(23)17-24)30-27(33)18-31-12-10-22(11-13-31)21-6-4-3-5-7-21;/h20-26,28H,3-19H2,1-2H3,(H,30,33);1H4.
What are the key properties of methane;methyl 1-[[2-(4-cyclohexylpiperidin-1-yl)acetyl]amino]-6-(3-methylmorpholin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate?
methane;methyl 1-[[2-(4-cyclohexylpiperidin-1-yl)acetyl]amino]-6-(3-methylmorpholin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate has a molecular weight of 519.77 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 1-[[2-(4-cyclohexylpiperidin-1-yl)acetyl]amino]-6-(3-methylmorpholin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate is sourced from PubChem (CID 162272040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).