(3S)-3-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-propan-2-ylpiperidin-2-one

C22H29N3O2 — CID 97220885

About (3S)-3-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-propan-2-ylpiperidin-2-one

(3S)-3-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-propan-2-ylpiperidin-2-one (PubChem CID 97220885) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (3S)-3-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-propan-2-ylpiperidin-2-one.

Molecular Properties

• Compound Name: (3S)-3-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-propan-2-ylpiperidin-2-one
• PubChem CID: 97220885
• Molecular Formula: C22H29N3O2
• Molecular Weight: 367.49 g/mol
• Exact Mass: 367.23
• IUPAC Name: (3S)-3-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-propan-2-ylpiperidin-2-one
• SMILES: COc1ccc2[nH]cc(C3=CCN([C@H]4CCCN(C(C)C)C4=O)CC3)c2c1
• InChI: InChI=1S/C22H29N3O2/c1-15(2)25-10-4-5-21(22(25)26)24-11-8-16(9-12-24)19-14-23-20-7-6-17(27-3)13-18(19)20/h6-8,13-15,21,23H,4-5,9-12H2,1-3H3/t21-/m0/s1
• InChIKey: SXRZZYYDSKHJHD-NRFANRHFSA-N
• XLogP: 3.66
• TPSA: 48.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.49
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-propan-2-ylpiperidin-2-one?

The IUPAC name of (3S)-3-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-propan-2-ylpiperidin-2-one (CID 97220885) is (3S)-3-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-propan-2-ylpiperidin-2-one.

What is the SMILES notation for (3S)-3-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-propan-2-ylpiperidin-2-one?

The canonical SMILES for (3S)-3-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-propan-2-ylpiperidin-2-one is COc1ccc2[nH]cc(C3=CCN([C@H]4CCCN(C(C)C)C4=O)CC3)c2c1.

What is the InChIKey of (3S)-3-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-propan-2-ylpiperidin-2-one?

The InChIKey is SXRZZYYDSKHJHD-NRFANRHFSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15(2)25-10-4-5-21(22(25)26)24-11-8-16(9-12-24)19-14-23-20-7-6-17(27-3)13-18(19)20/h6-8,13-15,21,23H,4-5,9-12H2,1-3H3/t21-/m0/s1.

What are the key properties of (3S)-3-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-propan-2-ylpiperidin-2-one?

(3S)-3-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-propan-2-ylpiperidin-2-one has a molecular weight of 367.49 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 97220885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).