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

C20H24N4 — CID 143833545

IUPAC1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]
SMILESCC1CCc2ncnc(N3CC4(CCNCC4)c4ccccc43)c21
InChIInChI=1S/C20H24N4/c1-14-6-7-16-18(14)19(23-13-22-16)24-12-20(8-10-21-11-9-20)15-4-2-3-5-17(15)24/h2-5,13-14,21H,6-12H2,1H3
InChIKeyVUBATRVFAXLOAU-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.30
Rot. Bonds1

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

1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine] (PubChem CID 143833545) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]
PubChem CID143833545
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]
SMILESCC1CCc2ncnc(N3CC4(CCNCC4)c4ccccc43)c21
InChIInChI=1S/C20H24N4/c1-14-6-7-16-18(14)19(23-13-22-16)24-12-20(8-10-21-11-9-20)15-4-2-3-5-17(15)24/h2-5,13-14,21H,6-12H2,1H3
InChIKeyVUBATRVFAXLOAU-UHFFFAOYSA-N
XLogP3.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine] (CID 143833545) is 1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine] is CC1CCc2ncnc(N3CC4(CCNCC4)c4ccccc43)c21.
What is the InChIKey of 1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]?
The InChIKey is VUBATRVFAXLOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-14-6-7-16-18(14)19(23-13-22-16)24-12-20(8-10-21-11-9-20)15-4-2-3-5-17(15)24/h2-5,13-14,21H,6-12H2,1H3.
What are the key properties of 1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]?
1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine] has a molecular weight of 320.44 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 143833545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).