1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-imidazol-1-ylethanone

C18H24N6O — CID 163318342

IUPAC1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-imidazol-1-ylethanone
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)Cn3ccnc3)C1)CC2
InChIInChI=1S/C18H24N6O/c1-22(2)17-20-10-14-4-6-18(16(14)21-17)5-3-8-24(12-18)15(25)11-23-9-7-19-13-23/h7,9-10,13H,3-6,8,11-12H2,1-2H3
InChIKeyLSVAERGOKVDBCE-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.25
Rot. Bonds3

About 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-imidazol-1-ylethanone

1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-imidazol-1-ylethanone (PubChem CID 163318342) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-imidazol-1-ylethanone
PubChem CID163318342
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-imidazol-1-ylethanone
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)Cn3ccnc3)C1)CC2
InChIInChI=1S/C18H24N6O/c1-22(2)17-20-10-14-4-6-18(16(14)21-17)5-3-8-24(12-18)15(25)11-23-9-7-19-13-23/h7,9-10,13H,3-6,8,11-12H2,1-2H3
InChIKeyLSVAERGOKVDBCE-UHFFFAOYSA-N
XLogP1.25
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-imidazol-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
CID 163304981
1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 135090068
N-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]acetamide
CID 135111986
1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 135108398
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-hydroxycyclopentyl)methanone
CID 163304934
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone
CID 163314059
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(hydroxymethyl)cyclopropyl]methanone
CID 164698444
2-(4-chlorophenoxy)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
CID 135101439
1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one
CID 135112693
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 135096020
(2-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone
CID 163317679
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 163312876

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-imidazol-1-ylethanone?
The IUPAC name of 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-imidazol-1-ylethanone (CID 163318342) is 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-imidazol-1-ylethanone?
The canonical SMILES for 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-imidazol-1-ylethanone is CN(C)c1ncc2c(n1)C1(CCCN(C(=O)Cn3ccnc3)C1)CC2.
What is the InChIKey of 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-imidazol-1-ylethanone?
The InChIKey is LSVAERGOKVDBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-22(2)17-20-10-14-4-6-18(16(14)21-17)5-3-8-24(12-18)15(25)11-23-9-7-19-13-23/h7,9-10,13H,3-6,8,11-12H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-imidazol-1-ylethanone?
1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-imidazol-1-ylethanone has a molecular weight of 340.43 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-imidazol-1-ylethanone is sourced from PubChem (CID 163318342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).