3,4-dihydro-2H-chromen-6-yl-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]methanone

C23H28N4O3 — CID 176502683

IUPAC3,4-dihydro-2H-chromen-6-yl-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]methanone
SMILESCN(C)c1ncc2c(n1)C1(CCN(C(=O)c3ccc4c(c3)CCCO4)CC1)OCC2
InChIInChI=1S/C23H28N4O3/c1-26(2)22-24-15-18-7-13-30-23(20(18)25-22)8-10-27(11-9-23)21(28)17-5-6-19-16(14-17)4-3-12-29-19/h5-6,14-15H,3-4,7-13H2,1-2H3
InChIKeyFSNUPAZXUXLPQY-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.57
Rot. Bonds2

About 3,4-dihydro-2H-chromen-6-yl-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]methanone

3,4-dihydro-2H-chromen-6-yl-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]methanone (PubChem CID 176502683) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]methanone
PubChem CID176502683
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name3,4-dihydro-2H-chromen-6-yl-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]methanone
SMILESCN(C)c1ncc2c(n1)C1(CCN(C(=O)c3ccc4c(c3)CCCO4)CC1)OCC2
InChIInChI=1S/C23H28N4O3/c1-26(2)22-24-15-18-7-13-30-23(20(18)25-22)8-10-27(11-9-23)21(28)17-5-6-19-16(14-17)4-3-12-29-19/h5-6,14-15H,3-4,7-13H2,1-2H3
InChIKeyFSNUPAZXUXLPQY-UHFFFAOYSA-N
XLogP2.57
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,4-dihydro-2H-chromen-6-yl-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]methanone 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-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
CID 176501264
3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
CID 110693318
2-(dimethylamino)-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carboxamide
CID 176506405
3-[2-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 176502050
3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone
CID 110802138
N-[3-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)phenyl]acetamide
CID 176502875
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
1-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-2-(2H-indazol-3-yl)ethanone
CID 176506350
1-(2,3-dihydro-1-benzofuran-5-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107161128
3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone
CID 82485167
1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide
CID 110693355
N-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-carboxamide
CID 110812686

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]methanone (CID 176502683) is 3,4-dihydro-2H-chromen-6-yl-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]methanone is CN(C)c1ncc2c(n1)C1(CCN(C(=O)c3ccc4c(c3)CCCO4)CC1)OCC2.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]methanone?
The InChIKey is FSNUPAZXUXLPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-26(2)22-24-15-18-7-13-30-23(20(18)25-22)8-10-27(11-9-23)21(28)17-5-6-19-16(14-17)4-3-12-29-19/h5-6,14-15H,3-4,7-13H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-chromen-6-yl-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]methanone?
3,4-dihydro-2H-chromen-6-yl-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]methanone has a molecular weight of 408.50 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-6-yl-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]methanone is sourced from PubChem (CID 176502683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).