N-ethyl-1'-propan-2-yl-N-propylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid

C24H35F3N2O4 — CID 155865490

IUPACN-ethyl-1'-propan-2-yl-N-propylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCCN(CC)C(=O)c1ccc2c(c1)C1(CCO2)CCN(C(C)C)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H34N2O2.C2HF3O2/c1-5-12-23(6-2)21(25)18-7-8-20-19(16-18)22(11-15-26-20)9-13-24(14-10-22)17(3)4;3-2(4,5)1(6)7/h7-8,16-17H,5-6,9-15H2,1-4H3;(H,6,7)
InChIKeySAXROGIATYKMGC-UHFFFAOYSA-N
MW472.55 g/mol
LogP4.72
Rot. Bonds5

About N-ethyl-1'-propan-2-yl-N-propylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid

N-ethyl-1'-propan-2-yl-N-propylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155865490) has the molecular formula C24H35F3N2O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-ethyl-1'-propan-2-yl-N-propylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-ethyl-1'-propan-2-yl-N-propylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155865490
Molecular FormulaC24H35F3N2O4
Molecular Weight472.55 g/mol
Exact Mass472.25
IUPAC NameN-ethyl-1'-propan-2-yl-N-propylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCCN(CC)C(=O)c1ccc2c(c1)C1(CCO2)CCN(C(C)C)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H34N2O2.C2HF3O2/c1-5-12-23(6-2)21(25)18-7-8-20-19(16-18)22(11-15-26-20)9-13-24(14-10-22)17(3)4;3-2(4,5)1(6)7/h7-8,16-17H,5-6,9-15H2,1-4H3;(H,6,7)
InChIKeySAXROGIATYKMGC-UHFFFAOYSA-N
XLogP4.72
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1'-propan-2-yl-N-propylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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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
N-(2-methylpropyl)-1'-propan-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155864368
1'-benzyl-N-methyl-N-propan-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155830944
1-spiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-ylethanone
CID 175880774
4-[ethyl(propyl)carbamoyl]benzoic acid
CID 43452972
N-ethyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 60682298
N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028436
2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid
CID 61013012
1-(4,4-difluoro-2,3-dihydrochromen-6-yl)ethanone
CID 83853581
ethane;N-ethyl-3-methyl-4-propan-2-yl-N-propylbenzamide
CID 144625128
N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63395170
2'-deuterio-N-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-carboxamide
CID 175740085

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1'-propan-2-yl-N-propylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-ethyl-1'-propan-2-yl-N-propylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid (CID 155865490) is N-ethyl-1'-propan-2-yl-N-propylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-ethyl-1'-propan-2-yl-N-propylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-ethyl-1'-propan-2-yl-N-propylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid is CCCN(CC)C(=O)c1ccc2c(c1)C1(CCO2)CCN(C(C)C)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-ethyl-1'-propan-2-yl-N-propylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is SAXROGIATYKMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2.C2HF3O2/c1-5-12-23(6-2)21(25)18-7-8-20-19(16-18)22(11-15-26-20)9-13-24(14-10-22)17(3)4;3-2(4,5)1(6)7/h7-8,16-17H,5-6,9-15H2,1-4H3;(H,6,7).
What are the key properties of N-ethyl-1'-propan-2-yl-N-propylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
N-ethyl-1'-propan-2-yl-N-propylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 472.55 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1'-propan-2-yl-N-propylspiro[2,3-dihydrochromene-4,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155865490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).