5-chloro-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride

C26H38Cl2N6O3 — CID 69329098

About 5-chloro-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride

5-chloro-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride (PubChem CID 69329098) has the molecular formula C26H38Cl2N6O3 and a molecular weight of 553.54 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 5-chloro-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride
• PubChem CID: 69329098
• Molecular Formula: C26H38Cl2N6O3
• Molecular Weight: 553.54 g/mol
• Exact Mass: 552.24
• IUPAC Name: 5-chloro-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride
• SMILES: CN1CCC(N2CCN(C(=O)[C@@](C)(NC(=O)c3cc4cc(Cl)ccc4[nH]3)N3CCOCC3)CC2)CC1.Cl
• InChI: InChI=1S/C26H37ClN6O3.ClH/c1-26(33-13-15-36-16-14-33,29-24(34)23-18-19-17-20(27)3-4-22(19)28-23)25(35)32-11-9-31(10-12-32)21-5-7-30(2)8-6-21;/h3-4,17-18,21,28H,5-16H2,1-2H3,(H,29,34);1H/t26-;/m0./s1
• InChIKey: DWURWVIARVMEKV-SNYZSRNZSA-N
• XLogP: 2.26
• TPSA: 84.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.54
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride?

The IUPAC name of 5-chloro-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride (CID 69329098) is 5-chloro-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride.

What is the SMILES notation for 5-chloro-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride?

The canonical SMILES for 5-chloro-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride is CN1CCC(N2CCN(C(=O)[C@@](C)(NC(=O)c3cc4cc(Cl)ccc4[nH]3)N3CCOCC3)CC2)CC1.Cl.

What is the InChIKey of 5-chloro-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride?

The InChIKey is DWURWVIARVMEKV-SNYZSRNZSA-N. The full InChI is InChI=1S/C26H37ClN6O3.ClH/c1-26(33-13-15-36-16-14-33,29-24(34)23-18-19-17-20(27)3-4-22(19)28-23)25(35)32-11-9-31(10-12-32)21-5-7-30(2)8-6-21;/h3-4,17-18,21,28H,5-16H2,1-2H3,(H,29,34);1H/t26-;/m0./s1.

What are the key properties of 5-chloro-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride?

5-chloro-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 553.54 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 69329098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).