N-[cyclopropyl-[3-methyl-5-[4-(3-piperidin-3-ylpropyl)piperazin-1-yl]piperidin-2-yl]methyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

C32H52N6O — CID 146395570

About N-[cyclopropyl-[3-methyl-5-[4-(3-piperidin-3-ylpropyl)piperazin-1-yl]piperidin-2-yl]methyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

N-[cyclopropyl-[3-methyl-5-[4-(3-piperidin-3-ylpropyl)piperazin-1-yl]piperidin-2-yl]methyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146395570) has the molecular formula C32H52N6O and a molecular weight of 536.81 g/mol. Its IUPAC name is N-[cyclopropyl-[3-methyl-5-[4-(3-piperidin-3-ylpropyl)piperazin-1-yl]piperidin-2-yl]methyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[cyclopropyl-[3-methyl-5-[4-(3-piperidin-3-ylpropyl)piperazin-1-yl]piperidin-2-yl]methyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
• PubChem CID: 146395570
• Molecular Formula: C32H52N6O
• Molecular Weight: 536.81 g/mol
• Exact Mass: 536.42
• IUPAC Name: N-[cyclopropyl-[3-methyl-5-[4-(3-piperidin-3-ylpropyl)piperazin-1-yl]piperidin-2-yl]methyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
• SMILES: Cc1cccc2c1NC(C(=O)NC(C1CC1)C1NCC(N3CCN(CCCC4CCCNC4)CC3)CC1C)C2
• InChI: InChI=1S/C32H52N6O/c1-22-6-3-9-26-19-28(35-29(22)26)32(39)36-31(25-10-11-25)30-23(2)18-27(21-34-30)38-16-14-37(15-17-38)13-5-8-24-7-4-12-33-20-24/h3,6,9,23-25,27-28,30-31,33-35H,4-5,7-8,10-21H2,1-2H3,(H,36,39)
• InChIKey: KGHJKEGPFUGKIZ-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 71.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.81
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-[3-methyl-5-[4-(3-piperidin-3-ylpropyl)piperazin-1-yl]piperidin-2-yl]methyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?

The IUPAC name of N-[cyclopropyl-[3-methyl-5-[4-(3-piperidin-3-ylpropyl)piperazin-1-yl]piperidin-2-yl]methyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 146395570) is N-[cyclopropyl-[3-methyl-5-[4-(3-piperidin-3-ylpropyl)piperazin-1-yl]piperidin-2-yl]methyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.

What is the SMILES notation for N-[cyclopropyl-[3-methyl-5-[4-(3-piperidin-3-ylpropyl)piperazin-1-yl]piperidin-2-yl]methyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?

The canonical SMILES for N-[cyclopropyl-[3-methyl-5-[4-(3-piperidin-3-ylpropyl)piperazin-1-yl]piperidin-2-yl]methyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is Cc1cccc2c1NC(C(=O)NC(C1CC1)C1NCC(N3CCN(CCCC4CCCNC4)CC3)CC1C)C2.

What is the InChIKey of N-[cyclopropyl-[3-methyl-5-[4-(3-piperidin-3-ylpropyl)piperazin-1-yl]piperidin-2-yl]methyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?

The InChIKey is KGHJKEGPFUGKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52N6O/c1-22-6-3-9-26-19-28(35-29(22)26)32(39)36-31(25-10-11-25)30-23(2)18-27(21-34-30)38-16-14-37(15-17-38)13-5-8-24-7-4-12-33-20-24/h3,6,9,23-25,27-28,30-31,33-35H,4-5,7-8,10-21H2,1-2H3,(H,36,39).

What are the key properties of N-[cyclopropyl-[3-methyl-5-[4-(3-piperidin-3-ylpropyl)piperazin-1-yl]piperidin-2-yl]methyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?

N-[cyclopropyl-[3-methyl-5-[4-(3-piperidin-3-ylpropyl)piperazin-1-yl]piperidin-2-yl]methyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 536.81 g/mol, XLogP of 2.99, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[cyclopropyl-[3-methyl-5-[4-(3-piperidin-3-ylpropyl)piperazin-1-yl]piperidin-2-yl]methyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146395570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).