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

C22H32N6O3 — CID 157014858

IUPAC1'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESCOCCn1ccnc1CN1CCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)CC1
InChIInChI=1S/C22H32N6O3/c1-30-13-10-27-9-6-23-18(27)16-26-7-4-22(5-8-26)3-2-17-19(22)24-21(25-20(17)29)28-11-14-31-15-12-28/h6,9H,2-5,7-8,10-16H2,1H3,(H,24,25,29)
InChIKeyPJWRSVSKQUNANU-UHFFFAOYSA-N
MW428.54 g/mol
LogP0.93
Rot. Bonds6

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

1'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 157014858) has the molecular formula C22H32N6O3 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
PubChem CID157014858
Molecular FormulaC22H32N6O3
Molecular Weight428.54 g/mol
Exact Mass428.25
IUPAC Name1'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESCOCCn1ccnc1CN1CCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)CC1
InChIInChI=1S/C22H32N6O3/c1-30-13-10-27-9-6-23-18(27)16-26-7-4-22(5-8-26)3-2-17-19(22)24-21(25-20(17)29)28-11-14-31-15-12-28/h6,9H,2-5,7-8,10-16H2,1H3,(H,24,25,29)
InChIKeyPJWRSVSKQUNANU-UHFFFAOYSA-N
XLogP0.93
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1'-[[1-(2-methoxyethyl)imidazol-2-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'-[(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
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'-(6-methylpyrimidin-4-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155506794
1'-isoquinolin-1-yl-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 157016956
3-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyrazine-2-carbonitrile
CID 155504520
1'-[(1-methylimidazol-2-yl)methyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 157020194
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
2-morpholin-4-yl-1'-(1H-pyrrole-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155500772
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'-(4-chloro-1-methylpyrazole-5-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155494202
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

Frequently Asked Questions

What is the IUPAC name of 1'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The IUPAC name of 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) is 1'-[[1-(2-methoxyethyl)imidazol-2-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'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The canonical SMILES for 1'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is COCCn1ccnc1CN1CCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)CC1.
What is the InChIKey of 1'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The InChIKey is PJWRSVSKQUNANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O3/c1-30-13-10-27-9-6-23-18(27)16-26-7-4-22(5-8-26)3-2-17-19(22)24-21(25-20(17)29)28-11-14-31-15-12-28/h6,9H,2-5,7-8,10-16H2,1H3,(H,24,25,29).
What are the key properties of 1'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
1'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 428.54 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 157014858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).