N-(2,5-dimethylphenyl)-1-propanoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide

C24H29N3O2 — CID 175738013

IUPACN-(2,5-dimethylphenyl)-1-propanoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCCC(=O)N1CC2(CCN(C(=O)Nc3cc(C)ccc3C)CC2)c2ccccc21
InChIInChI=1S/C24H29N3O2/c1-4-22(28)27-16-24(19-7-5-6-8-21(19)27)11-13-26(14-12-24)23(29)25-20-15-17(2)9-10-18(20)3/h5-10,15H,4,11-14,16H2,1-3H3,(H,25,29)
InChIKeyGLQXUXDUOVBGBO-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.63
Rot. Bonds2

About N-(2,5-dimethylphenyl)-1-propanoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide

N-(2,5-dimethylphenyl)-1-propanoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 175738013) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-propanoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-propanoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
PubChem CID175738013
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-(2,5-dimethylphenyl)-1-propanoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCCC(=O)N1CC2(CCN(C(=O)Nc3cc(C)ccc3C)CC2)c2ccccc21
InChIInChI=1S/C24H29N3O2/c1-4-22(28)27-16-24(19-7-5-6-8-21(19)27)11-13-26(14-12-24)23(29)25-20-15-17(2)9-10-18(20)3/h5-10,15H,4,11-14,16H2,1-3H3,(H,25,29)
InChIKeyGLQXUXDUOVBGBO-UHFFFAOYSA-N
XLogP4.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-propanoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-propanoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide (CID 175738013) is N-(2,5-dimethylphenyl)-1-propanoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-propanoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-propanoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide is CCC(=O)N1CC2(CCN(C(=O)Nc3cc(C)ccc3C)CC2)c2ccccc21.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-propanoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is GLQXUXDUOVBGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-4-22(28)27-16-24(19-7-5-6-8-21(19)27)11-13-26(14-12-24)23(29)25-20-15-17(2)9-10-18(20)3/h5-10,15H,4,11-14,16H2,1-3H3,(H,25,29).
What are the key properties of N-(2,5-dimethylphenyl)-1-propanoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
N-(2,5-dimethylphenyl)-1-propanoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-propanoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 175738013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).