N-[3-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]acetamide

C20H27N3O3 — CID 134789597

IUPACN-[3-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCC2(CC1)CC(NC(C)=O)c1ccccc12
InChIInChI=1S/C20H27N3O3/c1-14(24)21-10-7-19(26)23-11-8-20(9-12-23)13-18(22-15(2)25)16-5-3-4-6-17(16)20/h3-6,18H,7-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyRFMIJGIYKKYUDH-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.65
Rot. Bonds4

About N-[3-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]acetamide

N-[3-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]acetamide (PubChem CID 134789597) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[3-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]acetamide
PubChem CID134789597
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[3-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCC2(CC1)CC(NC(C)=O)c1ccccc12
InChIInChI=1S/C20H27N3O3/c1-14(24)21-10-7-19(26)23-11-8-20(9-12-23)13-18(22-15(2)25)16-5-3-4-6-17(16)20/h3-6,18H,7-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyRFMIJGIYKKYUDH-UHFFFAOYSA-N
XLogP1.65
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-N-(9H-fluoren-9-yl)pyrrolidine-2-carboxamide
CID 11236902
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,3-dihydro-1H-inden-1-ylamino)acetamide
CID 23644771
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]but-2-ynamide
CID 23723780
N-(1-benzylpiperidin-4-yl)-2,2-dimethylpropanamide
CID 5074234
N-[(N''-Indan-2-yl-N''-propyl)-4-aminobutyl]methylcarboxamide
CID 52937773
N-[(1S)-1-phenylethyl]-3-(4-phenylpiperidin-1-yl)propanamide
CID 57392440
9-Acetylaminofluorene
CID 224044
US10934302, Example 290
CID 139512071
Acetamide, 2-(diethylamino)-N-(9-fluorenyl)-, hydrochloride
CID 3055371
Acetamide, 2-(diethylamino)-N-(1-indanyl)-, hydrochloride
CID 3055375
2-(Diethylamino)-N-(3-phenyl-2,3-dihydro-1H-inden-1-yl)ethanimidic acid--hydrogen chloride (1/1)
CID 3055376
Acetamide, 2-(dipropylamino)-N-(1-indanyl)-, hydrochloride
CID 3055387

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-[3-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]acetamide (CID 134789597) is N-[3-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]acetamide is CC(=O)NCCC(=O)N1CCC2(CC1)CC(NC(C)=O)c1ccccc12.
What is the InChIKey of N-[3-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]acetamide?
The InChIKey is RFMIJGIYKKYUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14(24)21-10-7-19(26)23-11-8-20(9-12-23)13-18(22-15(2)25)16-5-3-4-6-17(16)20/h3-6,18H,7-13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]acetamide?
N-[3-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]acetamide has a molecular weight of 357.45 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 134789597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).