1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

C21H29N5O3 — CID 157014265

IUPAC1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESCc1noc(C)c1CN1CCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)CC1
InChIInChI=1S/C21H29N5O3/c1-14-17(15(2)29-24-14)13-25-7-5-21(6-8-25)4-3-16-18(21)22-20(23-19(16)27)26-9-11-28-12-10-26/h3-13H2,1-2H3,(H,22,23,27)
InChIKeyHTGUMOHHYYYLKP-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.69
Rot. Bonds3

About 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 157014265) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
PubChem CID157014265
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESCc1noc(C)c1CN1CCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)CC1
InChIInChI=1S/C21H29N5O3/c1-14-17(15(2)29-24-14)13-25-7-5-21(6-8-25)4-3-16-18(21)22-20(23-19(16)27)26-9-11-28-12-10-26/h3-13H2,1-2H3,(H,22,23,27)
InChIKeyHTGUMOHHYYYLKP-UHFFFAOYSA-N
XLogP1.69
TPSA87.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one with MolForge

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Related Compounds

1'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 157014858
1'-[(4-methylpyrazolo[1,5-a]pyridin-3-yl)methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 162634032
1'-(2-hydroxypropanoyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156584666
1'-(1-methylcyclopropanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155503582
1'-(6-methylpyrimidin-4-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155506794
4,5,6-trimethyl-2-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyridine-3-carbonitrile
CID 155506050
1'-(5-methyl-1,3-oxazole-4-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155504853
1'-[(5-methyl-1H-imidazol-2-yl)methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154822439
1'-(3-hydroxycyclobutanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156584740
1'-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 157011351
1'-isoquinolin-1-yl-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 157016956
2-morpholin-4-yl-1'-(1H-pyrrole-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155500772

Frequently Asked Questions

What is the IUPAC name of 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The IUPAC name of 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (CID 157014265) is 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The canonical SMILES for 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is Cc1noc(C)c1CN1CCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)CC1.
What is the InChIKey of 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The InChIKey is HTGUMOHHYYYLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-14-17(15(2)29-24-14)13-25-7-5-21(6-8-25)4-3-16-18(21)22-20(23-19(16)27)26-9-11-28-12-10-26/h3-13H2,1-2H3,(H,22,23,27).
What are the key properties of 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 399.50 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 157014265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).