6-amino-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]hexanamide

C29H46N4O — CID 155542684

IUPAC6-amino-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]hexanamide
SMILESCC(C)C1CCC(N2CCC(n3cc(CNC(=O)CCCCCN)c4ccccc43)CC2)CC1
InChIInChI=1S/C29H46N4O/c1-22(2)23-11-13-25(14-12-23)32-18-15-26(16-19-32)33-21-24(27-8-5-6-9-28(27)33)20-31-29(34)10-4-3-7-17-30/h5-6,8-9,21-23,25-26H,3-4,7,10-20,30H2,1-2H3,(H,31,34)
InChIKeyZUGCJUUUBNUVGL-UHFFFAOYSA-N
MW466.71 g/mol
LogP5.63
Rot. Bonds10

About 6-amino-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]hexanamide

6-amino-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]hexanamide (PubChem CID 155542684) has the molecular formula C29H46N4O and a molecular weight of 466.71 g/mol. Its IUPAC name is 6-amino-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]hexanamide
PubChem CID155542684
Molecular FormulaC29H46N4O
Molecular Weight466.71 g/mol
Exact Mass466.37
IUPAC Name6-amino-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]hexanamide
SMILESCC(C)C1CCC(N2CCC(n3cc(CNC(=O)CCCCCN)c4ccccc43)CC2)CC1
InChIInChI=1S/C29H46N4O/c1-22(2)23-11-13-25(14-12-23)32-18-15-26(16-19-32)33-21-24(27-8-5-6-9-28(27)33)20-31-29(34)10-4-3-7-17-30/h5-6,8-9,21-23,25-26H,3-4,7,10-20,30H2,1-2H3,(H,31,34)
InChIKeyZUGCJUUUBNUVGL-UHFFFAOYSA-N
XLogP5.63
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.71
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]hexanamide?
The IUPAC name of 6-amino-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]hexanamide (CID 155542684) is 6-amino-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]hexanamide.
What is the SMILES notation for 6-amino-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]hexanamide?
The canonical SMILES for 6-amino-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]hexanamide is CC(C)C1CCC(N2CCC(n3cc(CNC(=O)CCCCCN)c4ccccc43)CC2)CC1.
What is the InChIKey of 6-amino-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]hexanamide?
The InChIKey is ZUGCJUUUBNUVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46N4O/c1-22(2)23-11-13-25(14-12-23)32-18-15-26(16-19-32)33-21-24(27-8-5-6-9-28(27)33)20-31-29(34)10-4-3-7-17-30/h5-6,8-9,21-23,25-26H,3-4,7,10-20,30H2,1-2H3,(H,31,34).
What are the key properties of 6-amino-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]hexanamide?
6-amino-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]hexanamide has a molecular weight of 466.71 g/mol, XLogP of 5.63, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]hexanamide is sourced from PubChem (CID 155542684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).