3-chloro-N-(2-methoxyphenyl)-N-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-yl)ethylamino]ethyl]-1H-indole-6-carboxamide

C28H35ClN4O3 — CID 22135175

About 3-chloro-N-(2-methoxyphenyl)-N-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-yl)ethylamino]ethyl]-1H-indole-6-carboxamide

3-chloro-N-(2-methoxyphenyl)-N-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-yl)ethylamino]ethyl]-1H-indole-6-carboxamide (PubChem CID 22135175) has the molecular formula C28H35ClN4O3 and a molecular weight of 511.07 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxyphenyl)-N-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-yl)ethylamino]ethyl]-1H-indole-6-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-(2-methoxyphenyl)-N-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-yl)ethylamino]ethyl]-1H-indole-6-carboxamide
• PubChem CID: 22135175
• Molecular Formula: C28H35ClN4O3
• Molecular Weight: 511.07 g/mol
• Exact Mass: 510.24
• IUPAC Name: 3-chloro-N-(2-methoxyphenyl)-N-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-yl)ethylamino]ethyl]-1H-indole-6-carboxamide
• SMILES: COc1ccccc1N(CC(=O)NCCC1CCN(C(C)C)CC1)C(=O)c1ccc2c(Cl)c[nH]c2c1
• InChI: InChI=1S/C28H35ClN4O3/c1-19(2)32-14-11-20(12-15-32)10-13-30-27(34)18-33(25-6-4-5-7-26(25)36-3)28(35)21-8-9-22-23(29)17-31-24(22)16-21/h4-9,16-17,19-20,31H,10-15,18H2,1-3H3,(H,30,34)
• InChIKey: DLSXHKJLOWKTQM-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 77.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.07
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxyphenyl)-N-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-yl)ethylamino]ethyl]-1H-indole-6-carboxamide?

The IUPAC name of 3-chloro-N-(2-methoxyphenyl)-N-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-yl)ethylamino]ethyl]-1H-indole-6-carboxamide (CID 22135175) is 3-chloro-N-(2-methoxyphenyl)-N-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-yl)ethylamino]ethyl]-1H-indole-6-carboxamide.

What is the SMILES notation for 3-chloro-N-(2-methoxyphenyl)-N-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-yl)ethylamino]ethyl]-1H-indole-6-carboxamide?

The canonical SMILES for 3-chloro-N-(2-methoxyphenyl)-N-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-yl)ethylamino]ethyl]-1H-indole-6-carboxamide is COc1ccccc1N(CC(=O)NCCC1CCN(C(C)C)CC1)C(=O)c1ccc2c(Cl)c[nH]c2c1.

What is the InChIKey of 3-chloro-N-(2-methoxyphenyl)-N-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-yl)ethylamino]ethyl]-1H-indole-6-carboxamide?

The InChIKey is DLSXHKJLOWKTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN4O3/c1-19(2)32-14-11-20(12-15-32)10-13-30-27(34)18-33(25-6-4-5-7-26(25)36-3)28(35)21-8-9-22-23(29)17-31-24(22)16-21/h4-9,16-17,19-20,31H,10-15,18H2,1-3H3,(H,30,34).

What are the key properties of 3-chloro-N-(2-methoxyphenyl)-N-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-yl)ethylamino]ethyl]-1H-indole-6-carboxamide?

3-chloro-N-(2-methoxyphenyl)-N-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-yl)ethylamino]ethyl]-1H-indole-6-carboxamide has a molecular weight of 511.07 g/mol, XLogP of 5.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-(2-methoxyphenyl)-N-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-yl)ethylamino]ethyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 22135175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).