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

C21H32N4O3 — CID 136676472

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

2-[(3R)-1-(4-methoxycyclohexanecarbonyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136676472) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[(3R)-1-(4-methoxycyclohexanecarbonyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-[(3R)-1-(4-methoxycyclohexanecarbonyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 136676472
• Molecular Formula: C21H32N4O3
• Molecular Weight: 388.51 g/mol
• Exact Mass: 388.25
• IUPAC Name: 2-[(3R)-1-(4-methoxycyclohexanecarbonyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: COC1CCC(C(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(C)CC4)C2)CC1
• InChI: InChI=1S/C21H32N4O3/c1-24-11-9-18-17(13-24)20(26)23-19(22-18)15-4-3-10-25(12-15)21(27)14-5-7-16(28-2)8-6-14/h14-16H,3-13H2,1-2H3,(H,22,23,26)/t14?,15-,16?/m1/s1
• InChIKey: XVUUOIARIWWSBI-HWOWSKLDSA-N
• XLogP: 1.67
• TPSA: 78.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.51
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(3R)-1-(4-methoxycyclohexanecarbonyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136676472) is 2-[(3R)-1-(4-methoxycyclohexanecarbonyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 2-[(3R)-1-(4-methoxycyclohexanecarbonyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COC1CCC(C(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(C)CC4)C2)CC1.

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

The InChIKey is XVUUOIARIWWSBI-HWOWSKLDSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-24-11-9-18-17(13-24)20(26)23-19(22-18)15-4-3-10-25(12-15)21(27)14-5-7-16(28-2)8-6-14/h14-16H,3-13H2,1-2H3,(H,22,23,26)/t14?,15-,16?/m1/s1.

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

2-[(3R)-1-(4-methoxycyclohexanecarbonyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 388.51 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-1-(4-methoxycyclohexanecarbonyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136676472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).