2-[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]acetamide;dihydrochloride

C22H29Cl2N5O — CID 68734151

IUPAC2-[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]acetamide;dihydrochloride
SMILESCC1CCc2ncnc(N3CCC4(CC3)CNc3ccc(CC(N)=O)cc34)c21.Cl.Cl
InChIInChI=1S/C22H27N5O.2ClH/c1-14-2-4-18-20(14)21(26-13-25-18)27-8-6-22(7-9-27)12-24-17-5-3-15(10-16(17)22)11-19(23)28;;/h3,5,10,13-14,24H,2,4,6-9,11-12H2,1H3,(H2,23,28);2*1H
InChIKeyRJPFMEMYCKJJAB-UHFFFAOYSA-N
MW450.41 g/mol
LogP3.36
Rot. Bonds3

About 2-[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]acetamide;dihydrochloride

2-[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]acetamide;dihydrochloride (PubChem CID 68734151) has the molecular formula C22H29Cl2N5O and a molecular weight of 450.41 g/mol. Its IUPAC name is 2-[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]acetamide;dihydrochloride
PubChem CID68734151
Molecular FormulaC22H29Cl2N5O
Molecular Weight450.41 g/mol
Exact Mass449.17
IUPAC Name2-[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]acetamide;dihydrochloride
SMILESCC1CCc2ncnc(N3CCC4(CC3)CNc3ccc(CC(N)=O)cc34)c21.Cl.Cl
InChIInChI=1S/C22H27N5O.2ClH/c1-14-2-4-18-20(14)21(26-13-25-18)27-8-6-22(7-9-27)12-24-17-5-3-15(10-16(17)22)11-19(23)28;;/h3,5,10,13-14,24H,2,4,6-9,11-12H2,1H3,(H2,23,28);2*1H
InChIKeyRJPFMEMYCKJJAB-UHFFFAOYSA-N
XLogP3.36
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]acetamide;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]acetamide;dihydrochloride?
The IUPAC name of 2-[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]acetamide;dihydrochloride (CID 68734151) is 2-[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]acetamide;dihydrochloride.
What is the SMILES notation for 2-[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]acetamide;dihydrochloride?
The canonical SMILES for 2-[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]acetamide;dihydrochloride is CC1CCc2ncnc(N3CCC4(CC3)CNc3ccc(CC(N)=O)cc34)c21.Cl.Cl.
What is the InChIKey of 2-[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]acetamide;dihydrochloride?
The InChIKey is RJPFMEMYCKJJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O.2ClH/c1-14-2-4-18-20(14)21(26-13-25-18)27-8-6-22(7-9-27)12-24-17-5-3-15(10-16(17)22)11-19(23)28;;/h3,5,10,13-14,24H,2,4,6-9,11-12H2,1H3,(H2,23,28);2*1H.
What are the key properties of 2-[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]acetamide;dihydrochloride?
2-[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]acetamide;dihydrochloride has a molecular weight of 450.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]acetamide;dihydrochloride is sourced from PubChem (CID 68734151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).