N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide

C28H36N4O2 — CID 122178767

IUPACN-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCC2CCC(NC(=O)c3cc4ccccc4[nH]3)CC2)CC1
InChIInChI=1S/C28H36N4O2/c1-34-27-9-5-4-8-26(27)32-18-16-31(17-19-32)15-14-21-10-12-23(13-11-21)29-28(33)25-20-22-6-2-3-7-24(22)30-25/h2-9,20-21,23,30H,10-19H2,1H3,(H,29,33)
InChIKeyWINCORQQCBUVCO-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.68
Rot. Bonds7

About N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide

N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide (PubChem CID 122178767) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide
PubChem CID122178767
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC NameN-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCC2CCC(NC(=O)c3cc4ccccc4[nH]3)CC2)CC1
InChIInChI=1S/C28H36N4O2/c1-34-27-9-5-4-8-26(27)32-18-16-31(17-19-32)15-14-21-10-12-23(13-11-21)29-28(33)25-20-22-6-2-3-7-24(22)30-25/h2-9,20-21,23,30H,10-19H2,1H3,(H,29,33)
InChIKeyWINCORQQCBUVCO-UHFFFAOYSA-N
XLogP4.68
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide (CID 122178767) is N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide is COc1ccccc1N1CCN(CCC2CCC(NC(=O)c3cc4ccccc4[nH]3)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide?
The InChIKey is WINCORQQCBUVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-34-27-9-5-4-8-26(27)32-18-16-31(17-19-32)15-14-21-10-12-23(13-11-21)29-28(33)25-20-22-6-2-3-7-24(22)30-25/h2-9,20-21,23,30H,10-19H2,1H3,(H,29,33).
What are the key properties of N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide?
N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide has a molecular weight of 460.62 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 122178767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).