(2R)-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenylpropan-1-one

C22H28N4O — CID 92582598

About (2R)-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenylpropan-1-one

(2R)-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenylpropan-1-one (PubChem CID 92582598) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is (2R)-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

• Compound Name: (2R)-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenylpropan-1-one
• PubChem CID: 92582598
• Molecular Formula: C22H28N4O
• Molecular Weight: 364.49 g/mol
• Exact Mass: 364.23
• IUPAC Name: (2R)-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenylpropan-1-one
• SMILES: C[C@@H](C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1)c1ccccc1
• InChI: InChI=1S/C22H28N4O/c1-16(17-7-4-3-5-8-17)22(27)26-11-6-9-18(15-26)21-23-13-19-14-25(2)12-10-20(19)24-21/h3-5,7-8,13,16,18H,6,9-12,14-15H2,1-2H3/t16-,18+/m1/s1
• InChIKey: BITXQXNUQSOKNC-AEFFLSMTSA-N
• XLogP: 2.97
• TPSA: 49.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.49
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (2R)-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenylpropan-1-one (CID 92582598) is (2R)-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenylpropan-1-one.

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

The canonical SMILES for (2R)-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenylpropan-1-one is C[C@@H](C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1)c1ccccc1.

What is the InChIKey of (2R)-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenylpropan-1-one?

The InChIKey is BITXQXNUQSOKNC-AEFFLSMTSA-N. The full InChI is InChI=1S/C22H28N4O/c1-16(17-7-4-3-5-8-17)22(27)26-11-6-9-18(15-26)21-23-13-19-14-25(2)12-10-20(19)24-21/h3-5,7-8,13,16,18H,6,9-12,14-15H2,1-2H3/t16-,18+/m1/s1.

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

(2R)-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenylpropan-1-one has a molecular weight of 364.49 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 92582598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).