2-(dimethylamino)-1'-[4-(dimethylamino)benzoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

C22H29N5O2 — CID 154818706

IUPAC2-(dimethylamino)-1'-[4-(dimethylamino)benzoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCN(C)c1ccc(C(=O)N2CCCC3(CCc4c3nc(N(C)C)[nH]c4=O)C2)cc1
InChIInChI=1S/C22H29N5O2/c1-25(2)16-8-6-15(7-9-16)20(29)27-13-5-11-22(14-27)12-10-17-18(22)23-21(26(3)4)24-19(17)28/h6-9H,5,10-14H2,1-4H3,(H,23,24,28)
InChIKeyQXGBCDMNVWPLRL-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.02
Rot. Bonds3

About 2-(dimethylamino)-1'-[4-(dimethylamino)benzoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

2-(dimethylamino)-1'-[4-(dimethylamino)benzoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (PubChem CID 154818706) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-(dimethylamino)-1'-[4-(dimethylamino)benzoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-1'-[4-(dimethylamino)benzoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
PubChem CID154818706
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name2-(dimethylamino)-1'-[4-(dimethylamino)benzoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCN(C)c1ccc(C(=O)N2CCCC3(CCc4c3nc(N(C)C)[nH]c4=O)C2)cc1
InChIInChI=1S/C22H29N5O2/c1-25(2)16-8-6-15(7-9-16)20(29)27-13-5-11-22(14-27)12-10-17-18(22)23-21(26(3)4)24-19(17)28/h6-9H,5,10-14H2,1-4H3,(H,23,24,28)
InChIKeyQXGBCDMNVWPLRL-UHFFFAOYSA-N
XLogP2.02
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(dimethylamino)-1'-[4-(dimethylamino)benzoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one with MolForge

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Related Compounds

1'-(1,3-benzodioxole-5-carbonyl)-2-(dimethylamino)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 155913680
2-(dimethylamino)-1'-(6-methyl-4-oxopyran-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154570784
2-(dimethylamino)-1'-(2-pyridin-3-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154816421
1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154816196
1'-(1,3-benzodioxole-5-carbonyl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 155492985
2-cyclopropyl-1'-(4-hydroxy-2-methylbenzoyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564878
2-(dimethylamino)-1'-[(2-phenylpyrazol-3-yl)methyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154819228
2-methyl-1'-(2-phenylbenzoyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154563676
2-methyl-1'-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154567640
2-cyclopropyl-1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154571460
2-tert-butyl-1'-(pyridine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154817716
(4-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone
CID 135090739

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1'-[4-(dimethylamino)benzoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The IUPAC name of 2-(dimethylamino)-1'-[4-(dimethylamino)benzoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (CID 154818706) is 2-(dimethylamino)-1'-[4-(dimethylamino)benzoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.
What is the SMILES notation for 2-(dimethylamino)-1'-[4-(dimethylamino)benzoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The canonical SMILES for 2-(dimethylamino)-1'-[4-(dimethylamino)benzoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is CN(C)c1ccc(C(=O)N2CCCC3(CCc4c3nc(N(C)C)[nH]c4=O)C2)cc1.
What is the InChIKey of 2-(dimethylamino)-1'-[4-(dimethylamino)benzoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The InChIKey is QXGBCDMNVWPLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-25(2)16-8-6-15(7-9-16)20(29)27-13-5-11-22(14-27)12-10-17-18(22)23-21(26(3)4)24-19(17)28/h6-9H,5,10-14H2,1-4H3,(H,23,24,28).
What are the key properties of 2-(dimethylamino)-1'-[4-(dimethylamino)benzoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
2-(dimethylamino)-1'-[4-(dimethylamino)benzoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one has a molecular weight of 395.51 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1'-[4-(dimethylamino)benzoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is sourced from PubChem (CID 154818706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).