3-[3-[1-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one

C30H37N3O4 — CID 148686072

About 3-[3-[1-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one

3-[3-[1-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one (PubChem CID 148686072) has the molecular formula C30H37N3O4 and a molecular weight of 503.64 g/mol. Its IUPAC name is 3-[3-[1-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 3-[3-[1-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
• PubChem CID: 148686072
• Molecular Formula: C30H37N3O4
• Molecular Weight: 503.64 g/mol
• Exact Mass: 503.28
• IUPAC Name: 3-[3-[1-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
• SMILES: COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCN(C(=O)C3CC3)CC2)c2ccccc12
• InChI: InChI=1S/C30H37N3O4/c1-18-17-27(37-4)24(29(35)31-18)11-12-26(34)28-20(3)33(25-8-6-5-7-23(25)28)19(2)21-13-15-32(16-14-21)30(36)22-9-10-22/h5-8,17,19,21-22H,9-16H2,1-4H3,(H,31,35)/t19-/m1/s1
• InChIKey: NSNNXQAISQZGOP-LJQANCHMSA-N
• XLogP: 4.98
• TPSA: 84.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.64
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?

The IUPAC name of 3-[3-[1-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one (CID 148686072) is 3-[3-[1-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one.

What is the SMILES notation for 3-[3-[1-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?

The canonical SMILES for 3-[3-[1-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one is COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCN(C(=O)C3CC3)CC2)c2ccccc12.

What is the InChIKey of 3-[3-[1-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?

The InChIKey is NSNNXQAISQZGOP-LJQANCHMSA-N. The full InChI is InChI=1S/C30H37N3O4/c1-18-17-27(37-4)24(29(35)31-18)11-12-26(34)28-20(3)33(25-8-6-5-7-23(25)28)19(2)21-13-15-32(16-14-21)30(36)22-9-10-22/h5-8,17,19,21-22H,9-16H2,1-4H3,(H,31,35)/t19-/m1/s1.

What are the key properties of 3-[3-[1-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?

3-[3-[1-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one has a molecular weight of 503.64 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[1-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 148686072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).