[1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone;[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone

C52H71ClN8O2 — CID 161229107

About [1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone;[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone

[1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone;[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone (PubChem CID 161229107) has the molecular formula C52H71ClN8O2 and a molecular weight of 875.65 g/mol. Its IUPAC name is [1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone;[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: [1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone;[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone
• PubChem CID: 161229107
• Molecular Formula: C52H71ClN8O2
• Molecular Weight: 875.65 g/mol
• Exact Mass: 874.54
• IUPAC Name: [1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone;[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone
• SMILES: CCCN1CCN(C(=O)C2CCCN(Cc3cc4ccccc4n3C)C2)CC1.CCCN1CCN(C(=O)C2CCCN(Cc3cc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1
• InChI: InChI=1S/C29H37ClN4O.C23H34N4O/c1-2-13-31-15-17-33(18-16-31)29(35)25-7-5-14-32(21-25)22-27-19-24-6-3-4-8-28(24)34(27)20-23-9-11-26(30)12-10-23;1-3-10-25-12-14-27(15-13-25)23(28)20-8-6-11-26(17-20)18-21-16-19-7-4-5-9-22(19)24(21)2/h3-4,6,8-12,19,25H,2,5,7,13-18,20-22H2,1H3;4-5,7,9,16,20H,3,6,8,10-15,17-18H2,1-2H3
• InChIKey: UYNARAJAVPVXOM-UHFFFAOYSA-N
• XLogP: 8.05
• TPSA: 63.44 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	875.65
LogP ≤ 5	8.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone;[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone?

The IUPAC name of [1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone;[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone (CID 161229107) is [1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone;[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone.

What is the SMILES notation for [1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone;[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone?

The canonical SMILES for [1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone;[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)C2CCCN(Cc3cc4ccccc4n3C)C2)CC1.CCCN1CCN(C(=O)C2CCCN(Cc3cc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1.

What is the InChIKey of [1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone;[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone?

The InChIKey is UYNARAJAVPVXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37ClN4O.C23H34N4O/c1-2-13-31-15-17-33(18-16-31)29(35)25-7-5-14-32(21-25)22-27-19-24-6-3-4-8-28(24)34(27)20-23-9-11-26(30)12-10-23;1-3-10-25-12-14-27(15-13-25)23(28)20-8-6-11-26(17-20)18-21-16-19-7-4-5-9-22(19)24(21)2/h3-4,6,8-12,19,25H,2,5,7,13-18,20-22H2,1H3;4-5,7,9,16,20H,3,6,8,10-15,17-18H2,1-2H3.

What are the key properties of [1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone;[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone?

[1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone;[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone has a molecular weight of 875.65 g/mol, XLogP of 8.05, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone;[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 161229107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).