N-(2-methylpropyl)-1'-propan-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid

C23H33F3N2O4 — CID 155864368

IUPACN-(2-methylpropyl)-1'-propan-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)CNC(=O)c1ccc2c(c1)C1(CCO2)CCN(C(C)C)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H32N2O2.C2HF3O2/c1-15(2)14-22-20(24)17-5-6-19-18(13-17)21(9-12-25-19)7-10-23(11-8-21)16(3)4;3-2(4,5)1(6)7/h5-6,13,15-16H,7-12,14H2,1-4H3,(H,22,24);(H,6,7)
InChIKeyAOYGYIYSTCFWHK-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.23
Rot. Bonds4

About N-(2-methylpropyl)-1'-propan-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid

N-(2-methylpropyl)-1'-propan-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155864368) has the molecular formula C23H33F3N2O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-(2-methylpropyl)-1'-propan-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(2-methylpropyl)-1'-propan-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155864368
Molecular FormulaC23H33F3N2O4
Molecular Weight458.52 g/mol
Exact Mass458.24
IUPAC NameN-(2-methylpropyl)-1'-propan-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)CNC(=O)c1ccc2c(c1)C1(CCO2)CCN(C(C)C)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H32N2O2.C2HF3O2/c1-15(2)14-22-20(24)17-5-6-19-18(13-17)21(9-12-25-19)7-10-23(11-8-21)16(3)4;3-2(4,5)1(6)7/h5-6,13,15-16H,7-12,14H2,1-4H3,(H,22,24);(H,6,7)
InChIKeyAOYGYIYSTCFWHK-UHFFFAOYSA-N
XLogP4.23
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-1'-propan-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155831004
1'-benzyl-N-methyl-N-propan-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155830944
N-propan-2-ylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-carboxamide
CID 175740103
1-spiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-ylethanone
CID 175880774
2'-deuterio-N-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-carboxamide
CID 175740085
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043993
N-(2-methylpropyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109079570
N-(3-bromo-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 114313445
4-[2-[4,4-bis(methylsulfanyl)-2,3-dihydrochromen-6-yl]ethynyl]benzoic acid
CID 56976791
1-(4,4-difluoro-2,3-dihydrochromen-6-yl)ethanone
CID 83853581
N-[(2R)-2-(ethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 120651895
2-[(1,3-benzodioxole-5-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220302

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1'-propan-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(2-methylpropyl)-1'-propan-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid (CID 155864368) is N-(2-methylpropyl)-1'-propan-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(2-methylpropyl)-1'-propan-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(2-methylpropyl)-1'-propan-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid is CC(C)CNC(=O)c1ccc2c(c1)C1(CCO2)CCN(C(C)C)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(2-methylpropyl)-1'-propan-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is AOYGYIYSTCFWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2.C2HF3O2/c1-15(2)14-22-20(24)17-5-6-19-18(13-17)21(9-12-25-19)7-10-23(11-8-21)16(3)4;3-2(4,5)1(6)7/h5-6,13,15-16H,7-12,14H2,1-4H3,(H,22,24);(H,6,7).
What are the key properties of N-(2-methylpropyl)-1'-propan-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
N-(2-methylpropyl)-1'-propan-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 458.52 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1'-propan-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155864368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).