1'-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one

C21H22N6O — CID 95725644

IUPAC1'-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESC[C@H](c1ccccc1)n1nnnc1N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H22N6O/c1-15(16-7-3-2-4-8-16)27-20(23-24-25-27)26-13-11-21(12-14-26)17-9-5-6-10-18(17)22-19(21)28/h2-10,15H,11-14H2,1H3,(H,22,28)/t15-/m1/s1
InChIKeyJCTXUNRZPGQVIQ-OAHLLOKOSA-N
MW374.45 g/mol
LogP2.77
Rot. Bonds3

About 1'-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one

1'-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 95725644) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 1'-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID95725644
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name1'-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESC[C@H](c1ccccc1)n1nnnc1N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H22N6O/c1-15(16-7-3-2-4-8-16)27-20(23-24-25-27)26-13-11-21(12-14-26)17-9-5-6-10-18(17)22-19(21)28/h2-10,15H,11-14H2,1H3,(H,22,28)/t15-/m1/s1
InChIKeyJCTXUNRZPGQVIQ-OAHLLOKOSA-N
XLogP2.77
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1'-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one with MolForge

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Related Compounds

4-(hydroxymethyl)-1-[1-[(1S)-1-phenylethyl]tetrazol-5-yl]piperidin-4-ol
CID 95222706
4-(hydroxymethyl)-1-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]piperidin-4-ol
CID 95222707
1'-(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 154740959
1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076
1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 155536718
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
1'-[1-(1,3-benzothiazol-5-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 146415370
N,N-dimethyl-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide
CID 97449354
1'-(2-methylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 10199060
1'-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 77080326
1-(1-phenylethyl)tetrazol-5-amine
CID 19981424
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377

Frequently Asked Questions

What is the IUPAC name of 1'-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 95725644) is 1'-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one is C[C@H](c1ccccc1)n1nnnc1N1CCC2(CC1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is JCTXUNRZPGQVIQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N6O/c1-15(16-7-3-2-4-8-16)27-20(23-24-25-27)26-13-11-21(12-14-26)17-9-5-6-10-18(17)22-19(21)28/h2-10,15H,11-14H2,1H3,(H,22,28)/t15-/m1/s1.
What are the key properties of 1'-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one?
1'-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 374.45 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 95725644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).