1'-[[3-(2-methylpropyl)imidazol-4-yl]methyl]spiro[1H-indole-3,3'-piperidine]-2-one

C20H26N4O — CID 56899265

IUPAC1'-[[3-(2-methylpropyl)imidazol-4-yl]methyl]spiro[1H-indole-3,3'-piperidine]-2-one
SMILESCC(C)Cn1cncc1CN1CCCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C20H26N4O/c1-15(2)11-24-14-21-10-16(24)12-23-9-5-8-20(13-23)17-6-3-4-7-18(17)22-19(20)25/h3-4,6-7,10,14-15H,5,8-9,11-13H2,1-2H3,(H,22,25)
InChIKeyFVWCATHFIVTEMQ-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.03
Rot. Bonds4

About 1'-[[3-(2-methylpropyl)imidazol-4-yl]methyl]spiro[1H-indole-3,3'-piperidine]-2-one

1'-[[3-(2-methylpropyl)imidazol-4-yl]methyl]spiro[1H-indole-3,3'-piperidine]-2-one (PubChem CID 56899265) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1'-[[3-(2-methylpropyl)imidazol-4-yl]methyl]spiro[1H-indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[[3-(2-methylpropyl)imidazol-4-yl]methyl]spiro[1H-indole-3,3'-piperidine]-2-one
PubChem CID56899265
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1'-[[3-(2-methylpropyl)imidazol-4-yl]methyl]spiro[1H-indole-3,3'-piperidine]-2-one
SMILESCC(C)Cn1cncc1CN1CCCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C20H26N4O/c1-15(2)11-24-14-21-10-16(24)12-23-9-5-8-20(13-23)17-6-3-4-7-18(17)22-19(20)25/h3-4,6-7,10,14-15H,5,8-9,11-13H2,1-2H3,(H,22,25)
InChIKeyFVWCATHFIVTEMQ-UHFFFAOYSA-N
XLogP3.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(2-methylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 10199060
(3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-ol
CID 95721451
(3R)-1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,3'-piperidine]-2-one
CID 95715924
1'-(1H-indol-2-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 56910560
1'-(3-methylbutyl)spiro[1H-indole-3,3'-azetidine]-2-one
CID 134791223
methyl-(2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl)borinic acid
CID 59564965
1'-(1-methoxypropyl)spiro[1H-indole-3,3'-piperidine]-2-one;hydrochloride
CID 23500751
molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 145209538
1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride
CID 3042074
1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
3-[2-(4-fluorophenyl)ethyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine
CID 56906309

Frequently Asked Questions

What is the IUPAC name of 1'-[[3-(2-methylpropyl)imidazol-4-yl]methyl]spiro[1H-indole-3,3'-piperidine]-2-one?
The IUPAC name of 1'-[[3-(2-methylpropyl)imidazol-4-yl]methyl]spiro[1H-indole-3,3'-piperidine]-2-one (CID 56899265) is 1'-[[3-(2-methylpropyl)imidazol-4-yl]methyl]spiro[1H-indole-3,3'-piperidine]-2-one.
What is the SMILES notation for 1'-[[3-(2-methylpropyl)imidazol-4-yl]methyl]spiro[1H-indole-3,3'-piperidine]-2-one?
The canonical SMILES for 1'-[[3-(2-methylpropyl)imidazol-4-yl]methyl]spiro[1H-indole-3,3'-piperidine]-2-one is CC(C)Cn1cncc1CN1CCCC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-[[3-(2-methylpropyl)imidazol-4-yl]methyl]spiro[1H-indole-3,3'-piperidine]-2-one?
The InChIKey is FVWCATHFIVTEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15(2)11-24-14-21-10-16(24)12-23-9-5-8-20(13-23)17-6-3-4-7-18(17)22-19(20)25/h3-4,6-7,10,14-15H,5,8-9,11-13H2,1-2H3,(H,22,25).
What are the key properties of 1'-[[3-(2-methylpropyl)imidazol-4-yl]methyl]spiro[1H-indole-3,3'-piperidine]-2-one?
1'-[[3-(2-methylpropyl)imidazol-4-yl]methyl]spiro[1H-indole-3,3'-piperidine]-2-one has a molecular weight of 338.46 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[3-(2-methylpropyl)imidazol-4-yl]methyl]spiro[1H-indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 56899265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).