N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid

C25H33F3N2O4 — CID 155841808

IUPACN-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)NC1CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H32N2O2.C2HF3O2/c26-22(24-19-4-3-5-19)14-18-15-23(27-21-7-2-1-6-20(18)21)10-12-25(13-11-23)16-17-8-9-17;3-2(4,5)1(6)7/h1-2,6-7,17-19H,3-5,8-16H2,(H,24,26);(H,6,7)
InChIKeySRXHDFIUDXREGF-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.49
Rot. Bonds5

About N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid

N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155841808) has the molecular formula C25H33F3N2O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID155841808
Molecular FormulaC25H33F3N2O4
Molecular Weight482.54 g/mol
Exact Mass482.24
IUPAC NameN-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)NC1CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H32N2O2.C2HF3O2/c26-22(24-19-4-3-5-19)14-18-15-23(27-21-7-2-1-6-20(18)21)10-12-25(13-11-23)16-17-8-9-17;3-2(4,5)1(6)7/h1-2,6-7,17-19H,3-5,8-16H2,(H,24,26);(H,6,7)
InChIKeySRXHDFIUDXREGF-UHFFFAOYSA-N
XLogP4.49
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclobutyl-2-[1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155833902
2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
CID 97376409
2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-(2-methylpropyl)acetamide
CID 131640150
(4R)-N-cyclopentyl-4-[2-(cyclopropylamino)-2-oxoethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 97401154
2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-diethylacetamide
CID 97376614
N-(cyclopropylmethyl)-2-[1'-[(4-methoxyphenyl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155845289
N-methyl-2-[1'-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155847773
N-(cyclopropylmethyl)-2-[1'-(pyridine-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155852859
N-cyclobutyl-2-[(1R)-1'-(oxan-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375917
N-cyclopropyl-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131657389
N-(1-benzylpiperidin-4-yl)-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide
CID 134073540
2-[1'-[(4-methoxyphenyl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155825340

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid (CID 155841808) is N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid is O=C(CC1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)NC1CCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is SRXHDFIUDXREGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2.C2HF3O2/c26-22(24-19-4-3-5-19)14-18-15-23(27-21-7-2-1-6-20(18)21)10-12-25(13-11-23)16-17-8-9-17;3-2(4,5)1(6)7/h1-2,6-7,17-19H,3-5,8-16H2,(H,24,26);(H,6,7).
What are the key properties of N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid?
N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 482.54 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155841808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).