N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-indole-6-carboxamide;dihydrochloride

C27H41Cl2N5O2 — CID 22321771

About N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-indole-6-carboxamide;dihydrochloride

N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-indole-6-carboxamide;dihydrochloride (PubChem CID 22321771) has the molecular formula C27H41Cl2N5O2 and a molecular weight of 538.56 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-indole-6-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-indole-6-carboxamide;dihydrochloride
• PubChem CID: 22321771
• Molecular Formula: C27H41Cl2N5O2
• Molecular Weight: 538.56 g/mol
• Exact Mass: 537.26
• IUPAC Name: N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-indole-6-carboxamide;dihydrochloride
• SMILES: CN1CCC(N2CCN(C(=O)CN(C(=O)c3ccc4cc[nH]c4c3)C3CCCCC3)CC2)CC1.Cl.Cl
• InChI: InChI=1S/C27H39N5O2.2ClH/c1-29-13-10-23(11-14-29)30-15-17-31(18-16-30)26(33)20-32(24-5-3-2-4-6-24)27(34)22-8-7-21-9-12-28-25(21)19-22;;/h7-9,12,19,23-24,28H,2-6,10-11,13-18,20H2,1H3;2*1H
• InChIKey: ICSDBEXDEIGARK-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 62.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.56
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-indole-6-carboxamide;dihydrochloride?

The IUPAC name of N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-indole-6-carboxamide;dihydrochloride (CID 22321771) is N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-indole-6-carboxamide;dihydrochloride.

What is the SMILES notation for N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-indole-6-carboxamide;dihydrochloride?

The canonical SMILES for N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-indole-6-carboxamide;dihydrochloride is CN1CCC(N2CCN(C(=O)CN(C(=O)c3ccc4cc[nH]c4c3)C3CCCCC3)CC2)CC1.Cl.Cl.

What is the InChIKey of N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-indole-6-carboxamide;dihydrochloride?

The InChIKey is ICSDBEXDEIGARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O2.2ClH/c1-29-13-10-23(11-14-29)30-15-17-31(18-16-30)26(33)20-32(24-5-3-2-4-6-24)27(34)22-8-7-21-9-12-28-25(21)19-22;;/h7-9,12,19,23-24,28H,2-6,10-11,13-18,20H2,1H3;2*1H.

What are the key properties of N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-indole-6-carboxamide;dihydrochloride?

N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-indole-6-carboxamide;dihydrochloride has a molecular weight of 538.56 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-indole-6-carboxamide;dihydrochloride is sourced from PubChem (CID 22321771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).