N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-2-(2-phenyl-1H-indol-3-yl)acetamide

C36H40N4O — CID 44534107

IUPACN-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-2-(2-phenyl-1H-indol-3-yl)acetamide
SMILESO=C(Cc1c(-c2ccccc2)[nH]c2ccccc12)NC1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1
InChIInChI=1S/C36H40N4O/c41-35(22-31-29-10-5-7-13-34(29)39-36(31)27-8-2-1-3-9-27)38-28-16-14-25(15-17-28)24-40-20-18-26(19-21-40)32-23-37-33-12-6-4-11-30(32)33/h1-13,23,25-26,28,37,39H,14-22,24H2,(H,38,41)
InChIKeyLSEAPXFJHJHQKH-UHFFFAOYSA-N
MW544.74 g/mol
LogP7.41
Rot. Bonds7

About N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-2-(2-phenyl-1H-indol-3-yl)acetamide

N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-2-(2-phenyl-1H-indol-3-yl)acetamide (PubChem CID 44534107) has the molecular formula C36H40N4O and a molecular weight of 544.74 g/mol. Its IUPAC name is N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-2-(2-phenyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-2-(2-phenyl-1H-indol-3-yl)acetamide
PubChem CID44534107
Molecular FormulaC36H40N4O
Molecular Weight544.74 g/mol
Exact Mass544.32
IUPAC NameN-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-2-(2-phenyl-1H-indol-3-yl)acetamide
SMILESO=C(Cc1c(-c2ccccc2)[nH]c2ccccc12)NC1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1
InChIInChI=1S/C36H40N4O/c41-35(22-31-29-10-5-7-13-34(29)39-36(31)27-8-2-1-3-9-27)38-28-16-14-25(15-17-28)24-40-20-18-26(19-21-40)32-23-37-33-12-6-4-11-30(32)33/h1-13,23,25-26,28,37,39H,14-22,24H2,(H,38,41)
InChIKeyLSEAPXFJHJHQKH-UHFFFAOYSA-N
XLogP7.41
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.74
LogP ≤ 57.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-2-(2-phenyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-2-(2-phenyl-1H-indol-3-yl)acetamide (CID 44534107) is N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-2-(2-phenyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-2-(2-phenyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-2-(2-phenyl-1H-indol-3-yl)acetamide is O=C(Cc1c(-c2ccccc2)[nH]c2ccccc12)NC1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1.
What is the InChIKey of N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-2-(2-phenyl-1H-indol-3-yl)acetamide?
The InChIKey is LSEAPXFJHJHQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N4O/c41-35(22-31-29-10-5-7-13-34(29)39-36(31)27-8-2-1-3-9-27)38-28-16-14-25(15-17-28)24-40-20-18-26(19-21-40)32-23-37-33-12-6-4-11-30(32)33/h1-13,23,25-26,28,37,39H,14-22,24H2,(H,38,41).
What are the key properties of N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-2-(2-phenyl-1H-indol-3-yl)acetamide?
N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-2-(2-phenyl-1H-indol-3-yl)acetamide has a molecular weight of 544.74 g/mol, XLogP of 7.41, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-2-(2-phenyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 44534107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).