N-[1'-[4-(dimethylamino)butanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C21H31N3O2 — CID 134789144

IUPACN-[1'-[4-(dimethylamino)butanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)NC1CC2(CCN(C(=O)CCCN(C)C)CC2)c2ccccc21
InChIInChI=1S/C21H31N3O2/c1-16(25)22-19-15-21(18-8-5-4-7-17(18)19)10-13-24(14-11-21)20(26)9-6-12-23(2)3/h4-5,7-8,19H,6,9-15H2,1-3H3,(H,22,25)
InChIKeyMDEYLHCCBQQRMY-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.47
Rot. Bonds5

About N-[1'-[4-(dimethylamino)butanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

N-[1'-[4-(dimethylamino)butanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 134789144) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[1'-[4-(dimethylamino)butanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[1'-[4-(dimethylamino)butanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID134789144
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[1'-[4-(dimethylamino)butanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)NC1CC2(CCN(C(=O)CCCN(C)C)CC2)c2ccccc21
InChIInChI=1S/C21H31N3O2/c1-16(25)22-19-15-21(18-8-5-4-7-17(18)19)10-13-24(14-11-21)20(26)9-6-12-23(2)3/h4-5,7-8,19H,6,9-15H2,1-3H3,(H,22,25)
InChIKeyMDEYLHCCBQQRMY-UHFFFAOYSA-N
XLogP2.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-[1'-[4-(dimethylamino)butanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-[1'-[4-(dimethylamino)butanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 134789144) is N-[1'-[4-(dimethylamino)butanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-[1'-[4-(dimethylamino)butanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-[1'-[4-(dimethylamino)butanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CC(=O)NC1CC2(CCN(C(=O)CCCN(C)C)CC2)c2ccccc21.
What is the InChIKey of N-[1'-[4-(dimethylamino)butanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is MDEYLHCCBQQRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-16(25)22-19-15-21(18-8-5-4-7-17(18)19)10-13-24(14-11-21)20(26)9-6-12-23(2)3/h4-5,7-8,19H,6,9-15H2,1-3H3,(H,22,25).
What are the key properties of N-[1'-[4-(dimethylamino)butanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-[1'-[4-(dimethylamino)butanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 357.50 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1'-[4-(dimethylamino)butanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 134789144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).