4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one

C34H41N5O4 — CID 163591848

About 4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one

4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one (PubChem CID 163591848) has the molecular formula C34H41N5O4 and a molecular weight of 583.73 g/mol. Its IUPAC name is 4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one.

Molecular Properties

• Compound Name: 4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one
• PubChem CID: 163591848
• Molecular Formula: C34H41N5O4
• Molecular Weight: 583.73 g/mol
• Exact Mass: 583.32
• IUPAC Name: 4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one
• SMILES: COc1cc(N2CCC(c3ccc(OCCN4CCN(C)C(=O)[C@H]4C)cc3)CC2)ncc1-c1cn(C)c(=O)c2c1C=CC2
• InChI: InChI=1S/C34H41N5O4/c1-23-33(40)36(2)16-17-38(23)18-19-43-26-10-8-24(9-11-26)25-12-14-39(15-13-25)32-20-31(42-4)29(21-35-32)30-22-37(3)34(41)28-7-5-6-27(28)30/h5-6,8-11,20-23,25H,7,12-19H2,1-4H3/t23-/m1/s1
• InChIKey: BBDMHFXWKBNNDB-HSZRJFAPSA-N
• XLogP: 3.95
• TPSA: 80.14 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.73
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one?

The IUPAC name of 4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one (CID 163591848) is 4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one.

What is the SMILES notation for 4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one?

The canonical SMILES for 4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one is COc1cc(N2CCC(c3ccc(OCCN4CCN(C)C(=O)[C@H]4C)cc3)CC2)ncc1-c1cn(C)c(=O)c2c1C=CC2.

What is the InChIKey of 4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one?

The InChIKey is BBDMHFXWKBNNDB-HSZRJFAPSA-N. The full InChI is InChI=1S/C34H41N5O4/c1-23-33(40)36(2)16-17-38(23)18-19-43-26-10-8-24(9-11-26)25-12-14-39(15-13-25)32-20-31(42-4)29(21-35-32)30-22-37(3)34(41)28-7-5-6-27(28)30/h5-6,8-11,20-23,25H,7,12-19H2,1-4H3/t23-/m1/s1.

What are the key properties of 4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one?

4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one has a molecular weight of 583.73 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one is sourced from PubChem (CID 163591848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).