6-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C23H30N4 — CID 92548043

About 6-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 92548043) has the molecular formula C23H30N4 and a molecular weight of 362.52 g/mol. Its IUPAC name is 6-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 92548043
• Molecular Formula: C23H30N4
• Molecular Weight: 362.52 g/mol
• Exact Mass: 362.25
• IUPAC Name: 6-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: C/C(=C\c1ccccc1)CN1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2
• InChI: InChI=1S/C23H30N4/c1-18(14-19-8-4-3-5-9-19)16-27-12-7-6-10-22(27)23-24-15-20-17-26(2)13-11-21(20)25-23/h3-5,8-9,14-15,22H,6-7,10-13,16-17H2,1-2H3/b18-14+/t22-/m1/s1
• InChIKey: DHLFXZHUTAZWSO-OVWUPXBPSA-N
• XLogP: 4.09
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.52
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 92548043) is 6-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is C/C(=C\c1ccccc1)CN1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2.

What is the InChIKey of 6-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is DHLFXZHUTAZWSO-OVWUPXBPSA-N. The full InChI is InChI=1S/C23H30N4/c1-18(14-19-8-4-3-5-9-19)16-27-12-7-6-10-22(27)23-24-15-20-17-26(2)13-11-21(20)25-23/h3-5,8-9,14-15,22H,6-7,10-13,16-17H2,1-2H3/b18-14+/t22-/m1/s1.

What are the key properties of 6-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 362.52 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 92548043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).