piperidin-1-yl-[(2S)-1-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone

C23H32N6O2 — CID 118915859

About piperidin-1-yl-[(2S)-1-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone

piperidin-1-yl-[(2S)-1-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone (PubChem CID 118915859) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is piperidin-1-yl-[(2S)-1-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone.

Molecular Properties

• Compound Name: piperidin-1-yl-[(2S)-1-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone
• PubChem CID: 118915859
• Molecular Formula: C23H32N6O2
• Molecular Weight: 424.55 g/mol
• Exact Mass: 424.26
• IUPAC Name: piperidin-1-yl-[(2S)-1-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone
• SMILES: CC(C)c1cnc(Nc2nc(N3CCC[C@H]3C(=O)N3CCCCC3)nc3c2CCC3)o1
• InChI: InChI=1S/C23H32N6O2/c1-15(2)19-14-24-23(31-19)27-20-16-8-6-9-17(16)25-22(26-20)29-13-7-10-18(29)21(30)28-11-4-3-5-12-28/h14-15,18H,3-13H2,1-2H3,(H,24,25,26,27)/t18-/m0/s1
• InChIKey: XAEBPJRBPSSUKV-SFHVURJKSA-N
• XLogP: 3.80
• TPSA: 87.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.55
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[(2S)-1-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone?

The IUPAC name of piperidin-1-yl-[(2S)-1-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone (CID 118915859) is piperidin-1-yl-[(2S)-1-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone.

What is the SMILES notation for piperidin-1-yl-[(2S)-1-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone?

The canonical SMILES for piperidin-1-yl-[(2S)-1-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone is CC(C)c1cnc(Nc2nc(N3CCC[C@H]3C(=O)N3CCCCC3)nc3c2CCC3)o1.

What is the InChIKey of piperidin-1-yl-[(2S)-1-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone?

The InChIKey is XAEBPJRBPSSUKV-SFHVURJKSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-15(2)19-14-24-23(31-19)27-20-16-8-6-9-17(16)25-22(26-20)29-13-7-10-18(29)21(30)28-11-4-3-5-12-28/h14-15,18H,3-13H2,1-2H3,(H,24,25,26,27)/t18-/m0/s1.

What are the key properties of piperidin-1-yl-[(2S)-1-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone?

piperidin-1-yl-[(2S)-1-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone has a molecular weight of 424.55 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for piperidin-1-yl-[(2S)-1-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone is sourced from PubChem (CID 118915859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).