[4-(dimethylamino)phenyl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone

C22H26N2O — CID 11515524

IUPAC[4-(dimethylamino)phenyl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
SMILESCN(C)c1ccc(C(=O)N2CCC3(CC2)Cc2ccccc2C3)cc1
InChIInChI=1S/C22H26N2O/c1-23(2)20-9-7-17(8-10-20)21(25)24-13-11-22(12-14-24)15-18-5-3-4-6-19(18)16-22/h3-10H,11-16H2,1-2H3
InChIKeyBCPZMOGPZYJXHI-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.77
Rot. Bonds2

About [4-(dimethylamino)phenyl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone

[4-(dimethylamino)phenyl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone (PubChem CID 11515524) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
PubChem CID11515524
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name[4-(dimethylamino)phenyl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
SMILESCN(C)c1ccc(C(=O)N2CCC3(CC2)Cc2ccccc2C3)cc1
InChIInChI=1S/C22H26N2O/c1-23(2)20-9-7-17(8-10-20)21(25)24-13-11-22(12-14-24)15-18-5-3-4-6-19(18)16-22/h3-10H,11-16H2,1-2H3
InChIKeyBCPZMOGPZYJXHI-UHFFFAOYSA-N
XLogP3.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80718582
[4-(dimethylamino)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 78322536
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
[(3aR,10aR)-10a-(hydroxymethyl)-3,3a,4,10-tetrahydro-1H-[1]benzoxepino[3,4-c]pyrrol-2-yl]-[4-(dimethylamino)phenyl]methanone
CID 133113493
1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38453800
4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione
CID 66084706
ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
CID 35508651
[4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814773
1'-[4-(dimethylamino)benzoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735789
[4-(dimethylamino)phenyl]-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131648723
[4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 143704311
[4-(dimethylamino)phenyl]-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108547222

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone?
The IUPAC name of [4-(dimethylamino)phenyl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone (CID 11515524) is [4-(dimethylamino)phenyl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone is CN(C)c1ccc(C(=O)N2CCC3(CC2)Cc2ccccc2C3)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone?
The InChIKey is BCPZMOGPZYJXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-23(2)20-9-7-17(8-10-20)21(25)24-13-11-22(12-14-24)15-18-5-3-4-6-19(18)16-22/h3-10H,11-16H2,1-2H3.
What are the key properties of [4-(dimethylamino)phenyl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone?
[4-(dimethylamino)phenyl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone has a molecular weight of 334.46 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 11515524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).