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

C20H25N5O3 — CID 155500772

IUPAC2-morpholin-4-yl-1'-(1H-pyrrole-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESO=C(c1ccc[nH]1)N1CCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)CC1
InChIInChI=1S/C20H25N5O3/c26-17-14-3-4-20(16(14)22-19(23-17)25-10-12-28-13-11-25)5-8-24(9-6-20)18(27)15-2-1-7-21-15/h1-2,7,21H,3-6,8-13H2,(H,22,23,26)
InChIKeyFAQJBUFKUAAQRA-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.05
Rot. Bonds2

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

2-morpholin-4-yl-1'-(1H-pyrrole-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 155500772) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-morpholin-4-yl-1'-(1H-pyrrole-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-1'-(1H-pyrrole-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
PubChem CID155500772
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name2-morpholin-4-yl-1'-(1H-pyrrole-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESO=C(c1ccc[nH]1)N1CCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)CC1
InChIInChI=1S/C20H25N5O3/c26-17-14-3-4-20(16(14)22-19(23-17)25-10-12-28-13-11-25)5-8-24(9-6-20)18(27)15-2-1-7-21-15/h1-2,7,21H,3-6,8-13H2,(H,22,23,26)
InChIKeyFAQJBUFKUAAQRA-UHFFFAOYSA-N
XLogP1.05
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
1'-(3-chlorobenzoyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155494593
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'-[4-(2-aminoethyl)benzoyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155508827
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'-(3-chloropyridine-4-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155509351
1'-(2-hydroxypropanoyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156584666
1'-(5-fluoropyridine-3-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155501703
1'-[2-(4-hydroxyphenyl)acetyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156583638
1'-[2-(aminomethyl)-1,3-oxazole-4-carbonyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155506750
1'-(3-hydroxycyclobutanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156584740

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1'-(1H-pyrrole-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The IUPAC name of 2-morpholin-4-yl-1'-(1H-pyrrole-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (CID 155500772) is 2-morpholin-4-yl-1'-(1H-pyrrole-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'-(1H-pyrrole-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The canonical SMILES for 2-morpholin-4-yl-1'-(1H-pyrrole-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is O=C(c1ccc[nH]1)N1CCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)CC1.
What is the InChIKey of 2-morpholin-4-yl-1'-(1H-pyrrole-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The InChIKey is FAQJBUFKUAAQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c26-17-14-3-4-20(16(14)22-19(23-17)25-10-12-28-13-11-25)5-8-24(9-6-20)18(27)15-2-1-7-21-15/h1-2,7,21H,3-6,8-13H2,(H,22,23,26).
What are the key properties of 2-morpholin-4-yl-1'-(1H-pyrrole-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
2-morpholin-4-yl-1'-(1H-pyrrole-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 383.45 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1'-(1H-pyrrole-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 155500772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).