2-morpholin-4-yl-1'-(spiro[2.3]hexane-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

C22H30N4O3 — CID 155494932

IUPAC2-morpholin-4-yl-1'-(spiro[2.3]hexane-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESO=C(C1CC12CCC2)N1CCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)CC1
InChIInChI=1S/C22H30N4O3/c27-18-15-2-5-21(17(15)23-20(24-18)26-10-12-29-13-11-26)6-8-25(9-7-21)19(28)16-14-22(16)3-1-4-22/h16H,1-14H2,(H,23,24,27)
InChIKeyAZIRINACFAHNOB-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.60
Rot. Bonds2

About 2-morpholin-4-yl-1'-(spiro[2.3]hexane-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

2-morpholin-4-yl-1'-(spiro[2.3]hexane-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 155494932) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-morpholin-4-yl-1'-(spiro[2.3]hexane-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-1'-(spiro[2.3]hexane-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
PubChem CID155494932
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name2-morpholin-4-yl-1'-(spiro[2.3]hexane-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESO=C(C1CC12CCC2)N1CCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)CC1
InChIInChI=1S/C22H30N4O3/c27-18-15-2-5-21(17(15)23-20(24-18)26-10-12-29-13-11-26)6-8-25(9-7-21)19(28)16-14-22(16)3-1-4-22/h16H,1-14H2,(H,23,24,27)
InChIKeyAZIRINACFAHNOB-UHFFFAOYSA-N
XLogP1.60
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-morpholin-4-yl-1'-(spiro[2.3]hexane-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one with MolForge

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Related Compounds

1'-(3-hydroxycyclobutanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156584740
1'-(1-methylcyclopropanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155503582
1'-(2-hydroxypropanoyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156584666
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'-(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-fluoropyridine-3-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155501703
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'-(6-aminopyridine-2-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156586542
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'-(3-chlorobenzoyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155494593

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1'-(spiro[2.3]hexane-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The IUPAC name of 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) is 2-morpholin-4-yl-1'-(spiro[2.3]hexane-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.
What is the SMILES notation for 2-morpholin-4-yl-1'-(spiro[2.3]hexane-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The canonical SMILES for 2-morpholin-4-yl-1'-(spiro[2.3]hexane-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is O=C(C1CC12CCC2)N1CCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)CC1.
What is the InChIKey of 2-morpholin-4-yl-1'-(spiro[2.3]hexane-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The InChIKey is AZIRINACFAHNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c27-18-15-2-5-21(17(15)23-20(24-18)26-10-12-29-13-11-26)6-8-25(9-7-21)19(28)16-14-22(16)3-1-4-22/h16H,1-14H2,(H,23,24,27).
What are the key properties of 2-morpholin-4-yl-1'-(spiro[2.3]hexane-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
2-morpholin-4-yl-1'-(spiro[2.3]hexane-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 398.51 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1'-(spiro[2.3]hexane-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 155494932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).