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

C19H30N4O — CID 92552165

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

3,3-dimethyl-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one (PubChem CID 92552165) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

• Compound Name: 3,3-dimethyl-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one
• PubChem CID: 92552165
• Molecular Formula: C19H30N4O
• Molecular Weight: 330.48 g/mol
• Exact Mass: 330.24
• IUPAC Name: 3,3-dimethyl-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one
• SMILES: CN1CCc2nc([C@H]3CCCN(C(=O)CC(C)(C)C)C3)ncc2C1
• InChI: InChI=1S/C19H30N4O/c1-19(2,3)10-17(24)23-8-5-6-14(13-23)18-20-11-15-12-22(4)9-7-16(15)21-18/h11,14H,5-10,12-13H2,1-4H3/t14-/m0/s1
• InChIKey: JZXZDQJTTFBPOR-AWEZNQCLSA-N
• XLogP: 2.61
• TPSA: 49.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.48
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3,3-dimethyl-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one (CID 92552165) is 3,3-dimethyl-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one.

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

The canonical SMILES for 3,3-dimethyl-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one is CN1CCc2nc([C@H]3CCCN(C(=O)CC(C)(C)C)C3)ncc2C1.

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

The InChIKey is JZXZDQJTTFBPOR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H30N4O/c1-19(2,3)10-17(24)23-8-5-6-14(13-23)18-20-11-15-12-22(4)9-7-16(15)21-18/h11,14H,5-10,12-13H2,1-4H3/t14-/m0/s1.

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

3,3-dimethyl-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one has a molecular weight of 330.48 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 92552165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).