1-[4-(2-aminoethyl)piperidin-1-yl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-one

C32H43N3O — CID 142579700

About 1-[4-(2-aminoethyl)piperidin-1-yl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-one

1-[4-(2-aminoethyl)piperidin-1-yl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-one (PubChem CID 142579700) has the molecular formula C32H43N3O and a molecular weight of 485.72 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)piperidin-1-yl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-one.

Molecular Properties

• Compound Name: 1-[4-(2-aminoethyl)piperidin-1-yl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-one
• PubChem CID: 142579700
• Molecular Formula: C32H43N3O
• Molecular Weight: 485.72 g/mol
• Exact Mass: 485.34
• IUPAC Name: 1-[4-(2-aminoethyl)piperidin-1-yl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-one
• SMILES: Cc1cccc(C(CC(=O)N2CCC(CCN)CC2)c2cn(CC3CCCCC3)c3ccccc23)c1
• InChI: InChI=1S/C32H43N3O/c1-24-8-7-11-27(20-24)29(21-32(36)34-18-15-25(14-17-33)16-19-34)30-23-35(22-26-9-3-2-4-10-26)31-13-6-5-12-28(30)31/h5-8,11-13,20,23,25-26,29H,2-4,9-10,14-19,21-22,33H2,1H3
• InChIKey: FHFZZGLRDRSCHW-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 51.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.72
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)piperidin-1-yl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-one?

The IUPAC name of 1-[4-(2-aminoethyl)piperidin-1-yl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-one (CID 142579700) is 1-[4-(2-aminoethyl)piperidin-1-yl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-one.

What is the SMILES notation for 1-[4-(2-aminoethyl)piperidin-1-yl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-one?

The canonical SMILES for 1-[4-(2-aminoethyl)piperidin-1-yl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-one is Cc1cccc(C(CC(=O)N2CCC(CCN)CC2)c2cn(CC3CCCCC3)c3ccccc23)c1.

What is the InChIKey of 1-[4-(2-aminoethyl)piperidin-1-yl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-one?

The InChIKey is FHFZZGLRDRSCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N3O/c1-24-8-7-11-27(20-24)29(21-32(36)34-18-15-25(14-17-33)16-19-34)30-23-35(22-26-9-3-2-4-10-26)31-13-6-5-12-28(30)31/h5-8,11-13,20,23,25-26,29H,2-4,9-10,14-19,21-22,33H2,1H3.

What are the key properties of 1-[4-(2-aminoethyl)piperidin-1-yl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-one?

1-[4-(2-aminoethyl)piperidin-1-yl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-one has a molecular weight of 485.72 g/mol, XLogP of 6.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2-aminoethyl)piperidin-1-yl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-one is sourced from PubChem (CID 142579700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).