2-tert-butyl-1'-[2-(2-oxopiperidin-1-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

C22H32N4O3 — CID 154568232

IUPAC2-tert-butyl-1'-[2-(2-oxopiperidin-1-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCC(C)(C)c1nc2c(c(=O)[nH]1)CCC21CCCN(C(=O)CN2CCCCC2=O)C1
InChIInChI=1S/C22H32N4O3/c1-21(2,3)20-23-18-15(19(29)24-20)8-10-22(18)9-6-12-26(14-22)17(28)13-25-11-5-4-7-16(25)27/h4-14H2,1-3H3,(H,23,24,29)
InChIKeyFSHMJTLAGJAXAJ-UHFFFAOYSA-N
MW400.52 g/mol
LogP1.89
Rot. Bonds2

About 2-tert-butyl-1'-[2-(2-oxopiperidin-1-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

2-tert-butyl-1'-[2-(2-oxopiperidin-1-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (PubChem CID 154568232) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-tert-butyl-1'-[2-(2-oxopiperidin-1-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.

Molecular Properties

Compound Name2-tert-butyl-1'-[2-(2-oxopiperidin-1-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
PubChem CID154568232
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name2-tert-butyl-1'-[2-(2-oxopiperidin-1-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCC(C)(C)c1nc2c(c(=O)[nH]1)CCC21CCCN(C(=O)CN2CCCCC2=O)C1
InChIInChI=1S/C22H32N4O3/c1-21(2,3)20-23-18-15(19(29)24-20)8-10-22(18)9-6-12-26(14-22)17(28)13-25-11-5-4-7-16(25)27/h4-14H2,1-3H3,(H,23,24,29)
InChIKeyFSHMJTLAGJAXAJ-UHFFFAOYSA-N
XLogP1.89
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-1'-[2-(2-oxopiperidin-1-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one with MolForge

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Related Compounds

2-tert-butyl-1'-(2-cyclohexylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154816551
2-tert-butyl-1'-(cyclobutanecarbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154821548
2-tert-butyl-1'-[2-(cyclopropylamino)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565744
N-butyl-2-tert-butyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide
CID 154822634
2-tert-butyl-1'-(4-pyrazol-1-ylbutanoyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565807
2-tert-butyl-1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564858
2-tert-butyl-1'-(pyridine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154817716
2-tert-butyl-1'-(5-propyl-1H-pyrazole-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154567235
2-tert-butyl-1'-cyclopentylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154817021
1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]azepan-2-one
CID 115874722
1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 115875098
2-tert-butyl-1'-[3-(1,2,4-triazol-4-yl)propanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155493449

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1'-[2-(2-oxopiperidin-1-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The IUPAC name of 2-tert-butyl-1'-[2-(2-oxopiperidin-1-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (CID 154568232) is 2-tert-butyl-1'-[2-(2-oxopiperidin-1-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.
What is the SMILES notation for 2-tert-butyl-1'-[2-(2-oxopiperidin-1-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The canonical SMILES for 2-tert-butyl-1'-[2-(2-oxopiperidin-1-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is CC(C)(C)c1nc2c(c(=O)[nH]1)CCC21CCCN(C(=O)CN2CCCCC2=O)C1.
What is the InChIKey of 2-tert-butyl-1'-[2-(2-oxopiperidin-1-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The InChIKey is FSHMJTLAGJAXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-21(2,3)20-23-18-15(19(29)24-20)8-10-22(18)9-6-12-26(14-22)17(28)13-25-11-5-4-7-16(25)27/h4-14H2,1-3H3,(H,23,24,29).
What are the key properties of 2-tert-butyl-1'-[2-(2-oxopiperidin-1-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
2-tert-butyl-1'-[2-(2-oxopiperidin-1-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one has a molecular weight of 400.52 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1'-[2-(2-oxopiperidin-1-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is sourced from PubChem (CID 154568232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).