(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide

C27H29N5O2 — CID 30354211

About (3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide

(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 30354211) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is (3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
• PubChem CID: 30354211
• Molecular Formula: C27H29N5O2
• Molecular Weight: 455.56 g/mol
• Exact Mass: 455.23
• IUPAC Name: (3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
• SMILES: COc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)nn1
• InChI: InChI=1S/C27H29N5O2/c1-34-25-11-5-3-9-22(25)24-12-13-26(31-30-24)32-16-6-7-20(18-32)27(33)28-15-14-19-17-29-23-10-4-2-8-21(19)23/h2-5,8-13,17,20,29H,6-7,14-16,18H2,1H3,(H,28,33)/t20-/m0/s1
• InChIKey: OSCVBYPOULAEGF-FQEVSTJZSA-N
• XLogP: 4.21
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.56
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide?

The IUPAC name of (3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide (CID 30354211) is (3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide is COc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)nn1.

What is the InChIKey of (3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide?

The InChIKey is OSCVBYPOULAEGF-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-34-25-11-5-3-9-22(25)24-12-13-26(31-30-24)32-16-6-7-20(18-32)27(33)28-15-14-19-17-29-23-10-4-2-8-21(19)23/h2-5,8-13,17,20,29H,6-7,14-16,18H2,1H3,(H,28,33)/t20-/m0/s1.

What are the key properties of (3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide?

(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 30354211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).