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

C22H31N3O2 — CID 134789211

IUPACN-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)NC1CC2(CCN(C(=O)C3CCN(C)CC3)CC2)c2ccccc21
InChIInChI=1S/C22H31N3O2/c1-16(26)23-20-15-22(19-6-4-3-5-18(19)20)9-13-25(14-10-22)21(27)17-7-11-24(2)12-8-17/h3-6,17,20H,7-15H2,1-2H3,(H,23,26)
InChIKeyABRMLBWTTJLCAR-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.47
Rot. Bonds2

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

N-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 134789211) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID134789211
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)NC1CC2(CCN(C(=O)C3CCN(C)CC3)CC2)c2ccccc21
InChIInChI=1S/C22H31N3O2/c1-16(26)23-20-15-22(19-6-4-3-5-18(19)20)9-13-25(14-10-22)21(27)17-7-11-24(2)12-8-17/h3-6,17,20H,7-15H2,1-2H3,(H,23,26)
InChIKeyABRMLBWTTJLCAR-UHFFFAOYSA-N
XLogP2.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,3-dihydro-1H-inden-1-ylamino)acetamide
CID 23644771
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
(2S)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-phenylacetamide
CID 11385982
(2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-phenylacetamide
CID 11408910
(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
(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 56950450
(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(2-ethylphenyl)-N-propan-2-ylacetamide
CID 56950451
N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-1-yl)propanamide
CID 166627285

Frequently Asked Questions

What is the IUPAC name of N-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 134789211) is N-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CC(=O)NC1CC2(CCN(C(=O)C3CCN(C)CC3)CC2)c2ccccc21.
What is the InChIKey of N-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is ABRMLBWTTJLCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-16(26)23-20-15-22(19-6-4-3-5-18(19)20)9-13-25(14-10-22)21(27)17-7-11-24(2)12-8-17/h3-6,17,20H,7-15H2,1-2H3,(H,23,26).
What are the key properties of N-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 369.51 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 134789211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).