7-(cyclopropanecarbonyl)-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C24H34N4O4 — CID 136676492

About 7-(cyclopropanecarbonyl)-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-(cyclopropanecarbonyl)-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136676492) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is 7-(cyclopropanecarbonyl)-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-(cyclopropanecarbonyl)-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• PubChem CID: 136676492
• Molecular Formula: C24H34N4O4
• Molecular Weight: 442.56 g/mol
• Exact Mass: 442.26
• IUPAC Name: 7-(cyclopropanecarbonyl)-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• SMILES: COC1CCC(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)CC1
• InChI: InChI=1S/C24H34N4O4/c1-32-17-9-7-16(8-10-17)24(31)28-12-3-2-4-20(28)21-25-19-14-27(23(30)15-5-6-15)13-11-18(19)22(29)26-21/h15-17,20H,2-14H2,1H3,(H,25,26,29)/t16?,17?,20-/m0/s1
• InChIKey: UHRDAPYWOHFAAA-UHYCVJNDSA-N
• XLogP: 2.32
• TPSA: 95.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.56
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonyl)-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The IUPAC name of 7-(cyclopropanecarbonyl)-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136676492) is 7-(cyclopropanecarbonyl)-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

What is the SMILES notation for 7-(cyclopropanecarbonyl)-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The canonical SMILES for 7-(cyclopropanecarbonyl)-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COC1CCC(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)CC1.

What is the InChIKey of 7-(cyclopropanecarbonyl)-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The InChIKey is UHRDAPYWOHFAAA-UHYCVJNDSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-32-17-9-7-16(8-10-17)24(31)28-12-3-2-4-20(28)21-25-19-14-27(23(30)15-5-6-15)13-11-18(19)22(29)26-21/h15-17,20H,2-14H2,1H3,(H,25,26,29)/t16?,17?,20-/m0/s1.

What are the key properties of 7-(cyclopropanecarbonyl)-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

7-(cyclopropanecarbonyl)-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 442.56 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(cyclopropanecarbonyl)-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136676492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).