1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone

C22H28N4O2 — CID 110263503

About 1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone

1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone (PubChem CID 110263503) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

• Compound Name: 1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone
• PubChem CID: 110263503
• Molecular Formula: C22H28N4O2
• Molecular Weight: 380.49 g/mol
• Exact Mass: 380.22
• IUPAC Name: 1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone
• SMILES: Cc1nc(C2CCCN(C(=O)COc3ccccc3)C2)nc2c1CCCN2C
• InChI: InChI=1S/C22H28N4O2/c1-16-19-11-7-12-25(2)22(19)24-21(23-16)17-8-6-13-26(14-17)20(27)15-28-18-9-4-3-5-10-18/h3-5,9-10,17H,6-8,11-15H2,1-2H3
• InChIKey: UPVKPNRPOWRDAK-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 58.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.49
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone?

The IUPAC name of 1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone (CID 110263503) is 1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone.

What is the SMILES notation for 1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone?

The canonical SMILES for 1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone is Cc1nc(C2CCCN(C(=O)COc3ccccc3)C2)nc2c1CCCN2C.

What is the InChIKey of 1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone?

The InChIKey is UPVKPNRPOWRDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-19-11-7-12-25(2)22(19)24-21(23-16)17-8-6-13-26(14-17)20(27)15-28-18-9-4-3-5-10-18/h3-5,9-10,17H,6-8,11-15H2,1-2H3.

What are the key properties of 1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone?

1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 380.49 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 110263503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).