1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide

C30H37N5O4 — CID 59727765

About 1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide

1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 59727765) has the molecular formula C30H37N5O4 and a molecular weight of 531.66 g/mol. Its IUPAC name is 1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

• Compound Name: 1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
• PubChem CID: 59727765
• Molecular Formula: C30H37N5O4
• Molecular Weight: 531.66 g/mol
• Exact Mass: 531.28
• IUPAC Name: 1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
• SMILES: COc1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
• InChI: InChI=1S/C30H37N5O4/c1-21(36)33-15-17-34(18-16-33)30(38)25-5-6-28(39-2)23(19-25)7-11-32-12-9-26(10-13-32)35-14-8-22-3-4-24(29(31)37)20-27(22)35/h3-6,8,14,19-20,26H,7,9-13,15-18H2,1-2H3,(H2,31,37)
• InChIKey: GONNMDBHCQNHOT-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 101.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.66
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?

The IUPAC name of 1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide (CID 59727765) is 1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide.

What is the SMILES notation for 1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?

The canonical SMILES for 1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide is COc1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.

What is the InChIKey of 1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?

The InChIKey is GONNMDBHCQNHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O4/c1-21(36)33-15-17-34(18-16-33)30(38)25-5-6-28(39-2)23(19-25)7-11-32-12-9-26(10-13-32)35-14-8-22-3-4-24(29(31)37)20-27(22)35/h3-6,8,14,19-20,26H,7,9-13,15-18H2,1-2H3,(H2,31,37).

What are the key properties of 1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?

1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 531.66 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 59727765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).