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

C27H33N3O2 — CID 44524833

IUPACN-[4-[4-(2-methoxyphenyl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide
SMILESCOc1ccccc1C1CCN(C2CCC(NC(=O)c3cc4ccccc4[nH]3)CC2)CC1
InChIInChI=1S/C27H33N3O2/c1-32-26-9-5-3-7-23(26)19-14-16-30(17-15-19)22-12-10-21(11-13-22)28-27(31)25-18-20-6-2-4-8-24(20)29-25/h2-9,18-19,21-22,29H,10-17H2,1H3,(H,28,31)
InChIKeyXZHIRYLLXNALKS-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.10
Rot. Bonds5

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

N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide (PubChem CID 44524833) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide
PubChem CID44524833
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide
SMILESCOc1ccccc1C1CCN(C2CCC(NC(=O)c3cc4ccccc4[nH]3)CC2)CC1
InChIInChI=1S/C27H33N3O2/c1-32-26-9-5-3-7-23(26)19-14-16-30(17-15-19)22-12-10-21(11-13-22)28-27(31)25-18-20-6-2-4-8-24(20)29-25/h2-9,18-19,21-22,29H,10-17H2,1H3,(H,28,31)
InChIKeyXZHIRYLLXNALKS-UHFFFAOYSA-N
XLogP5.10
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide (CID 44524833) is N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide is COc1ccccc1C1CCN(C2CCC(NC(=O)c3cc4ccccc4[nH]3)CC2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide?
The InChIKey is XZHIRYLLXNALKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-32-26-9-5-3-7-23(26)19-14-16-30(17-15-19)22-12-10-21(11-13-22)28-27(31)25-18-20-6-2-4-8-24(20)29-25/h2-9,18-19,21-22,29H,10-17H2,1H3,(H,28,31).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide?
N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 44524833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).