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

C20H28N4O4 — CID 156584740

IUPAC1'-(3-hydroxycyclobutanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESO=C(C1CC(O)C1)N1CCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)CC1
InChIInChI=1S/C20H28N4O4/c25-14-11-13(12-14)18(27)23-5-3-20(4-6-23)2-1-15-16(20)21-19(22-17(15)26)24-7-9-28-10-8-24/h13-14,25H,1-12H2,(H,21,22,26)
InChIKeyVXDOVNUCCWNKOV-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.18
Rot. Bonds2

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

1'-(3-hydroxycyclobutanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 156584740) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1'-(3-hydroxycyclobutanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(3-hydroxycyclobutanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
PubChem CID156584740
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name1'-(3-hydroxycyclobutanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESO=C(C1CC(O)C1)N1CCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)CC1
InChIInChI=1S/C20H28N4O4/c25-14-11-13(12-14)18(27)23-5-3-20(4-6-23)2-1-15-16(20)21-19(22-17(15)26)24-7-9-28-10-8-24/h13-14,25H,1-12H2,(H,21,22,26)
InChIKeyVXDOVNUCCWNKOV-UHFFFAOYSA-N
XLogP0.18
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-yl-1'-(spiro[2.3]hexane-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155494932
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-fluoropyridine-3-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155501703
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'-(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'-[2-(4-hydroxyphenyl)acetyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156583638
1'-(3-chloropyridine-4-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155509351
1'-(3-chlorobenzoyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155494593
1'-(3-amino-1H-pyrazole-5-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156586628
1'-(6-aminopyridine-2-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156586542

Frequently Asked Questions

What is the IUPAC name of 1'-(3-hydroxycyclobutanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The IUPAC name of 1'-(3-hydroxycyclobutanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (CID 156584740) is 1'-(3-hydroxycyclobutanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(3-hydroxycyclobutanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The canonical SMILES for 1'-(3-hydroxycyclobutanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is O=C(C1CC(O)C1)N1CCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)CC1.
What is the InChIKey of 1'-(3-hydroxycyclobutanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The InChIKey is VXDOVNUCCWNKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c25-14-11-13(12-14)18(27)23-5-3-20(4-6-23)2-1-15-16(20)21-19(22-17(15)26)24-7-9-28-10-8-24/h13-14,25H,1-12H2,(H,21,22,26).
What are the key properties of 1'-(3-hydroxycyclobutanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
1'-(3-hydroxycyclobutanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 388.47 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-hydroxycyclobutanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 156584740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).