N-[[7-(1H-indol-5-ylmethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-5-yl]methyl]-2-phenylacetamide

C30H32N4O — CID 134805260

IUPACN-[[7-(1H-indol-5-ylmethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-5-yl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1CN(Cc2ccc3[nH]ccc3c2)CC12CN(c1ccccc1)C2
InChIInChI=1S/C30H32N4O/c35-29(16-23-7-3-1-4-8-23)32-17-26-19-33(18-24-11-12-28-25(15-24)13-14-31-28)20-30(26)21-34(22-30)27-9-5-2-6-10-27/h1-15,26,31H,16-22H2,(H,32,35)
InChIKeyWEPJOQRZHMEKPK-UHFFFAOYSA-N
MW464.61 g/mol
LogP4.47
Rot. Bonds7

About N-[[7-(1H-indol-5-ylmethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-5-yl]methyl]-2-phenylacetamide

N-[[7-(1H-indol-5-ylmethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-5-yl]methyl]-2-phenylacetamide (PubChem CID 134805260) has the molecular formula C30H32N4O and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[[7-(1H-indol-5-ylmethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-5-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[7-(1H-indol-5-ylmethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-5-yl]methyl]-2-phenylacetamide
PubChem CID134805260
Molecular FormulaC30H32N4O
Molecular Weight464.61 g/mol
Exact Mass464.26
IUPAC NameN-[[7-(1H-indol-5-ylmethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-5-yl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1CN(Cc2ccc3[nH]ccc3c2)CC12CN(c1ccccc1)C2
InChIInChI=1S/C30H32N4O/c35-29(16-23-7-3-1-4-8-23)32-17-26-19-33(18-24-11-12-28-25(15-24)13-14-31-28)20-30(26)21-34(22-30)27-9-5-2-6-10-27/h1-15,26,31H,16-22H2,(H,32,35)
InChIKeyWEPJOQRZHMEKPK-UHFFFAOYSA-N
XLogP4.47
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[7-(1H-indol-5-ylmethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-5-yl]methyl]-2-phenylacetamide with MolForge

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Related Compounds

1-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-2-phenylethanone
CID 56903614
N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1H-indole-5-carboxamide
CID 110202451
N-(2-hydroxypropyl)-2-(1H-indol-5-yl)acetamide
CID 84577469
N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide
CID 10713693
8a-benzyl-7-(1H-indol-5-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146043345
2-phenyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide
CID 168875352
N-cycloheptyl-2-(1H-indol-5-yl)acetamide
CID 84577573
benzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate
CID 58933443
N-[(4S,5S)-5-hydroxy-1-(1H-indol-5-ylmethyl)azepan-4-yl]acetamide
CID 110126935
3-(1H-indol-5-ylmethyl)benzoic acid
CID 53345393
5-[(4-methylpiperidin-1-yl)methyl]-1H-indole
CID 90949338
2-(1H-indol-5-yl)-N-(2-methylcyclohexyl)acetamide
CID 84577838

Frequently Asked Questions

What is the IUPAC name of N-[[7-(1H-indol-5-ylmethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-5-yl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[7-(1H-indol-5-ylmethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-5-yl]methyl]-2-phenylacetamide (CID 134805260) is N-[[7-(1H-indol-5-ylmethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-5-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[7-(1H-indol-5-ylmethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-5-yl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[7-(1H-indol-5-ylmethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-5-yl]methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC1CN(Cc2ccc3[nH]ccc3c2)CC12CN(c1ccccc1)C2.
What is the InChIKey of N-[[7-(1H-indol-5-ylmethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-5-yl]methyl]-2-phenylacetamide?
The InChIKey is WEPJOQRZHMEKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O/c35-29(16-23-7-3-1-4-8-23)32-17-26-19-33(18-24-11-12-28-25(15-24)13-14-31-28)20-30(26)21-34(22-30)27-9-5-2-6-10-27/h1-15,26,31H,16-22H2,(H,32,35).
What are the key properties of N-[[7-(1H-indol-5-ylmethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-5-yl]methyl]-2-phenylacetamide?
N-[[7-(1H-indol-5-ylmethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-5-yl]methyl]-2-phenylacetamide has a molecular weight of 464.61 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(1H-indol-5-ylmethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-5-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 134805260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).