N-[3-oxo-3-[1-(propan-2-ylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propyl]acetamide

C22H32N4O3 — CID 134788055

IUPACN-[3-oxo-3-[1-(propan-2-ylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCC2(CC1)CC(NC(=O)NC(C)C)c1ccccc12
InChIInChI=1S/C22H32N4O3/c1-15(2)24-21(29)25-19-14-22(18-7-5-4-6-17(18)19)9-12-26(13-10-22)20(28)8-11-23-16(3)27/h4-7,15,19H,8-14H2,1-3H3,(H,23,27)(H2,24,25,29)
InChIKeyPMWLUWVJIMZDLA-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.23
Rot. Bonds5

About N-[3-oxo-3-[1-(propan-2-ylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propyl]acetamide

N-[3-oxo-3-[1-(propan-2-ylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propyl]acetamide (PubChem CID 134788055) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[3-oxo-3-[1-(propan-2-ylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-oxo-3-[1-(propan-2-ylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propyl]acetamide
PubChem CID134788055
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-[3-oxo-3-[1-(propan-2-ylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCC2(CC1)CC(NC(=O)NC(C)C)c1ccccc12
InChIInChI=1S/C22H32N4O3/c1-15(2)24-21(29)25-19-14-22(18-7-5-4-6-17(18)19)9-12-26(13-10-22)20(28)8-11-23-16(3)27/h4-7,15,19H,8-14H2,1-3H3,(H,23,27)(H2,24,25,29)
InChIKeyPMWLUWVJIMZDLA-UHFFFAOYSA-N
XLogP2.23
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 950587
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1-[2-(4-Indan-1-yl-piperazin-1-yl)-ethyl]-imidazolidin-2-one
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N~3~-acetyl-N~1~-({2-[benzyl(methyl)amino]-2,3-dihydro-1H-inden-2-yl}methyl)-beta-alaninamide
CID 23723749
1-Indanamine, N-(2-morpholinopropionyl)-
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1-Indanamine, N-(2-diethylaminopropionyl)-2-phenyl-, hydrochloride
CID 115649
1-Indanamine, N-(2-dimethylaminobutyryl)-2-phenyl-
CID 115654
1-Indanamine, N-(2-dimethylaminopropionyl)-2-phenyl-
CID 116127
N-benzyl-3-[[1-(2-methylpropyl)piperidin-4-yl]carbamoylamino]propanamide
CID 51129439
1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide
CID 56819402
1-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide
CID 56819403
1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-yl)-1,3-diazinane-2,4,6-trione
CID 71681701

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[1-(propan-2-ylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propyl]acetamide?
The IUPAC name of N-[3-oxo-3-[1-(propan-2-ylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propyl]acetamide (CID 134788055) is N-[3-oxo-3-[1-(propan-2-ylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propyl]acetamide.
What is the SMILES notation for N-[3-oxo-3-[1-(propan-2-ylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propyl]acetamide?
The canonical SMILES for N-[3-oxo-3-[1-(propan-2-ylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propyl]acetamide is CC(=O)NCCC(=O)N1CCC2(CC1)CC(NC(=O)NC(C)C)c1ccccc12.
What is the InChIKey of N-[3-oxo-3-[1-(propan-2-ylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propyl]acetamide?
The InChIKey is PMWLUWVJIMZDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-15(2)24-21(29)25-19-14-22(18-7-5-4-6-17(18)19)9-12-26(13-10-22)20(28)8-11-23-16(3)27/h4-7,15,19H,8-14H2,1-3H3,(H,23,27)(H2,24,25,29).
What are the key properties of N-[3-oxo-3-[1-(propan-2-ylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propyl]acetamide?
N-[3-oxo-3-[1-(propan-2-ylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propyl]acetamide has a molecular weight of 400.52 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[1-(propan-2-ylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propyl]acetamide is sourced from PubChem (CID 134788055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).