2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]chromen-4-one

C23H24N4O3 — CID 163311257

IUPAC2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]chromen-4-one
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)c3cc(=O)c4ccccc4o3)C1)CC2
InChIInChI=1S/C23H24N4O3/c1-26(2)22-24-13-15-8-10-23(20(15)25-22)9-5-11-27(14-23)21(29)19-12-17(28)16-6-3-4-7-18(16)30-19/h3-4,6-7,12-13H,5,8-11,14H2,1-2H3
InChIKeyYQIASSPOJPPIGQ-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.77
Rot. Bonds2

About 2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]chromen-4-one

2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]chromen-4-one (PubChem CID 163311257) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]chromen-4-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]chromen-4-one
PubChem CID163311257
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]chromen-4-one
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)c3cc(=O)c4ccccc4o3)C1)CC2
InChIInChI=1S/C23H24N4O3/c1-26(2)22-24-13-15-8-10-23(20(15)25-22)9-5-11-27(14-23)21(29)19-12-17(28)16-6-3-4-7-18(16)30-19/h3-4,6-7,12-13H,5,8-11,14H2,1-2H3
InChIKeyYQIASSPOJPPIGQ-UHFFFAOYSA-N
XLogP2.77
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]chromen-4-one?
The IUPAC name of 2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]chromen-4-one (CID 163311257) is 2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]chromen-4-one.
What is the SMILES notation for 2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]chromen-4-one?
The canonical SMILES for 2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]chromen-4-one is CN(C)c1ncc2c(n1)C1(CCCN(C(=O)c3cc(=O)c4ccccc4o3)C1)CC2.
What is the InChIKey of 2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]chromen-4-one?
The InChIKey is YQIASSPOJPPIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-26(2)22-24-13-15-8-10-23(20(15)25-22)9-5-11-27(14-23)21(29)19-12-17(28)16-6-3-4-7-18(16)30-19/h3-4,6-7,12-13H,5,8-11,14H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]chromen-4-one?
2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]chromen-4-one has a molecular weight of 404.47 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]chromen-4-one is sourced from PubChem (CID 163311257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).