N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-3-(1,3-benzodioxol-5-yl)propanamide

C25H28N2O5 — CID 131654224

IUPACN-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-3-(1,3-benzodioxol-5-yl)propanamide
SMILESCC(=O)N1CCC2(CC1)CC(NC(=O)CCc1ccc3c(c1)OCO3)c1ccccc1O2
InChIInChI=1S/C25H28N2O5/c1-17(28)27-12-10-25(11-13-27)15-20(19-4-2-3-5-21(19)32-25)26-24(29)9-7-18-6-8-22-23(14-18)31-16-30-22/h2-6,8,14,20H,7,9-13,15-16H2,1H3,(H,26,29)
InChIKeyGEDYGIFGBRXUCD-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.37
Rot. Bonds4

About N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-3-(1,3-benzodioxol-5-yl)propanamide

N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-3-(1,3-benzodioxol-5-yl)propanamide (PubChem CID 131654224) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-3-(1,3-benzodioxol-5-yl)propanamide.

Molecular Properties

Compound NameN-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-3-(1,3-benzodioxol-5-yl)propanamide
PubChem CID131654224
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC NameN-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-3-(1,3-benzodioxol-5-yl)propanamide
SMILESCC(=O)N1CCC2(CC1)CC(NC(=O)CCc1ccc3c(c1)OCO3)c1ccccc1O2
InChIInChI=1S/C25H28N2O5/c1-17(28)27-12-10-25(11-13-27)15-20(19-4-2-3-5-21(19)32-25)26-24(29)9-7-18-6-8-22-23(14-18)31-16-30-22/h2-6,8,14,20H,7,9-13,15-16H2,1H3,(H,26,29)
InChIKeyGEDYGIFGBRXUCD-UHFFFAOYSA-N
XLogP3.37
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-4-yl]-3-phenylpropanamide
CID 46456295
2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133224868
2-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 134078602
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide
CID 100525677
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpropanamide;hydrochloride
CID 119341948
3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide
CID 133225052
3-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 43051485
3,3,3-trifluoro-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)propanamide
CID 131643090
3-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100592838
3-(1,3-benzodioxol-5-yl)-N-[(1S,2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 133123385
4-(1,1-dioxo-1,4-thiazinan-4-yl)-4-oxo-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylbutanamide
CID 110213487
N-[1'-[3-(1H-indol-3-yl)propanoyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 171922054

Frequently Asked Questions

What is the IUPAC name of N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-3-(1,3-benzodioxol-5-yl)propanamide?
The IUPAC name of N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-3-(1,3-benzodioxol-5-yl)propanamide (CID 131654224) is N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-3-(1,3-benzodioxol-5-yl)propanamide.
What is the SMILES notation for N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-3-(1,3-benzodioxol-5-yl)propanamide?
The canonical SMILES for N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-3-(1,3-benzodioxol-5-yl)propanamide is CC(=O)N1CCC2(CC1)CC(NC(=O)CCc1ccc3c(c1)OCO3)c1ccccc1O2.
What is the InChIKey of N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-3-(1,3-benzodioxol-5-yl)propanamide?
The InChIKey is GEDYGIFGBRXUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-17(28)27-12-10-25(11-13-27)15-20(19-4-2-3-5-21(19)32-25)26-24(29)9-7-18-6-8-22-23(14-18)31-16-30-22/h2-6,8,14,20H,7,9-13,15-16H2,1H3,(H,26,29).
What are the key properties of N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-3-(1,3-benzodioxol-5-yl)propanamide?
N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-3-(1,3-benzodioxol-5-yl)propanamide has a molecular weight of 436.51 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-3-(1,3-benzodioxol-5-yl)propanamide is sourced from PubChem (CID 131654224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).