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

C21H29N3O3 — CID 134791452

IUPACN-[4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutyl]acetamide
SMILESCC(=O)NCCCC(=O)N1CCC2(CC1)CC(NC(C)=O)c1ccccc12
InChIInChI=1S/C21H29N3O3/c1-15(25)22-11-5-8-20(27)24-12-9-21(10-13-24)14-19(23-16(2)26)17-6-3-4-7-18(17)21/h3-4,6-7,19H,5,8-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyKMRGYPSWJUIWIV-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.04
Rot. Bonds5

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

N-[4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutyl]acetamide (PubChem CID 134791452) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutyl]acetamide
PubChem CID134791452
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutyl]acetamide
SMILESCC(=O)NCCCC(=O)N1CCC2(CC1)CC(NC(C)=O)c1ccccc12
InChIInChI=1S/C21H29N3O3/c1-15(25)22-11-5-8-20(27)24-12-9-21(10-13-24)14-19(23-16(2)26)17-6-3-4-7-18(17)21/h3-4,6-7,19H,5,8-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyKMRGYPSWJUIWIV-UHFFFAOYSA-N
XLogP2.04
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]pyrrolidine-2-carboxamide
CID 11166263
(2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-N-(9H-fluoren-9-yl)pyrrolidine-2-carboxamide
CID 11236902
(2S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]pyrrolidine-2-carboxamide
CID 11750738
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-9H-fluoren-9-yl-2-phenylacetamide
CID 1315808
N-(9H-fluoren-9-yl)-3-methyl-2-phenylbutanamide
CID 4615340
(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide
CID 11363194
(2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2-oxopiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide
CID 11525173
(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxo-4-prop-2-enylpiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide
CID 11598556
(2S)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide
CID 11641200
(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-2-phenyl-N-propan-2-ylacetamide
CID 11677260

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutyl]acetamide?
The IUPAC name of N-[4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutyl]acetamide (CID 134791452) is N-[4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutyl]acetamide.
What is the SMILES notation for N-[4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutyl]acetamide?
The canonical SMILES for N-[4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutyl]acetamide is CC(=O)NCCCC(=O)N1CCC2(CC1)CC(NC(C)=O)c1ccccc12.
What is the InChIKey of N-[4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutyl]acetamide?
The InChIKey is KMRGYPSWJUIWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15(25)22-11-5-8-20(27)24-12-9-21(10-13-24)14-19(23-16(2)26)17-6-3-4-7-18(17)21/h3-4,6-7,19H,5,8-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutyl]acetamide?
N-[4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutyl]acetamide has a molecular weight of 371.48 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutyl]acetamide is sourced from PubChem (CID 134791452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).