N-[[(6S,8R)-8-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]spiro[8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromene-2,1'-cyclohexane]-6-yl]methyl]formamide

C24H29F3N2O5 — CID 18396403

IUPACN-[[(6S,8R)-8-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]spiro[8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromene-2,1'-cyclohexane]-6-yl]methyl]formamide
SMILESO=CNC[C@H]1O[C@@H](C2CCN(C(=O)C(F)(F)F)CC2)Cc2c1ccc1c2OC2(CCCCC2)O1
InChIInChI=1S/C24H29F3N2O5/c25-24(26,27)22(31)29-10-6-15(7-11-29)19-12-17-16(20(32-19)13-28-14-30)4-5-18-21(17)34-23(33-18)8-2-1-3-9-23/h4-5,14-15,19-20H,1-3,6-13H2,(H,28,30)/t19-,20-/m1/s1
InChIKeyCAUSKBUEQYHLCC-WOJBJXKFSA-N
MW482.50 g/mol
LogP3.65
Rot. Bonds4

About N-[[(6S,8R)-8-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]spiro[8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromene-2,1'-cyclohexane]-6-yl]methyl]formamide

N-[[(6S,8R)-8-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]spiro[8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromene-2,1'-cyclohexane]-6-yl]methyl]formamide (PubChem CID 18396403) has the molecular formula C24H29F3N2O5 and a molecular weight of 482.50 g/mol. Its IUPAC name is N-[[(6S,8R)-8-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]spiro[8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromene-2,1'-cyclohexane]-6-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[(6S,8R)-8-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]spiro[8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromene-2,1'-cyclohexane]-6-yl]methyl]formamide
PubChem CID18396403
Molecular FormulaC24H29F3N2O5
Molecular Weight482.50 g/mol
Exact Mass482.20
IUPAC NameN-[[(6S,8R)-8-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]spiro[8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromene-2,1'-cyclohexane]-6-yl]methyl]formamide
SMILESO=CNC[C@H]1O[C@@H](C2CCN(C(=O)C(F)(F)F)CC2)Cc2c1ccc1c2OC2(CCCCC2)O1
InChIInChI=1S/C24H29F3N2O5/c25-24(26,27)22(31)29-10-6-15(7-11-29)19-12-17-16(20(32-19)13-28-14-30)4-5-18-21(17)34-23(33-18)8-2-1-3-9-23/h4-5,14-15,19-20H,1-3,6-13H2,(H,28,30)/t19-,20-/m1/s1
InChIKeyCAUSKBUEQYHLCC-WOJBJXKFSA-N
XLogP3.65
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[[(6S,8R)-8-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]spiro[8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromene-2,1'-cyclohexane]-6-yl]methyl]formamide 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 N-[[(6S,8R)-8-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]spiro[8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromene-2,1'-cyclohexane]-6-yl]methyl]formamide?
The IUPAC name of N-[[(6S,8R)-8-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]spiro[8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromene-2,1'-cyclohexane]-6-yl]methyl]formamide (CID 18396403) is N-[[(6S,8R)-8-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]spiro[8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromene-2,1'-cyclohexane]-6-yl]methyl]formamide.
What is the SMILES notation for N-[[(6S,8R)-8-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]spiro[8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromene-2,1'-cyclohexane]-6-yl]methyl]formamide?
The canonical SMILES for N-[[(6S,8R)-8-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]spiro[8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromene-2,1'-cyclohexane]-6-yl]methyl]formamide is O=CNC[C@H]1O[C@@H](C2CCN(C(=O)C(F)(F)F)CC2)Cc2c1ccc1c2OC2(CCCCC2)O1.
What is the InChIKey of N-[[(6S,8R)-8-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]spiro[8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromene-2,1'-cyclohexane]-6-yl]methyl]formamide?
The InChIKey is CAUSKBUEQYHLCC-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H29F3N2O5/c25-24(26,27)22(31)29-10-6-15(7-11-29)19-12-17-16(20(32-19)13-28-14-30)4-5-18-21(17)34-23(33-18)8-2-1-3-9-23/h4-5,14-15,19-20H,1-3,6-13H2,(H,28,30)/t19-,20-/m1/s1.
What are the key properties of N-[[(6S,8R)-8-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]spiro[8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromene-2,1'-cyclohexane]-6-yl]methyl]formamide?
N-[[(6S,8R)-8-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]spiro[8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromene-2,1'-cyclohexane]-6-yl]methyl]formamide has a molecular weight of 482.50 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6S,8R)-8-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]spiro[8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromene-2,1'-cyclohexane]-6-yl]methyl]formamide is sourced from PubChem (CID 18396403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).