4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide

C26H36N4O2 — CID 118062646

IUPAC4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide
SMILESCOc1ccccc1N1CCN(CCC2(C)CCC(C(=O)Nc3ccccn3)CC2)CC1
InChIInChI=1S/C26H36N4O2/c1-26(12-10-21(11-13-26)25(31)28-24-9-5-6-15-27-24)14-16-29-17-19-30(20-18-29)22-7-3-4-8-23(22)32-2/h3-9,15,21H,10-14,16-20H2,1-2H3,(H,27,28,31)
InChIKeyYAQGSYDYFONGEZ-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.44
Rot. Bonds7

About 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide

4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide (PubChem CID 118062646) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide
PubChem CID118062646
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide
SMILESCOc1ccccc1N1CCN(CCC2(C)CCC(C(=O)Nc3ccccn3)CC2)CC1
InChIInChI=1S/C26H36N4O2/c1-26(12-10-21(11-13-26)25(31)28-24-9-5-6-15-27-24)14-16-29-17-19-30(20-18-29)22-7-3-4-8-23(22)32-2/h3-9,15,21H,10-14,16-20H2,1-2H3,(H,27,28,31)
InChIKeyYAQGSYDYFONGEZ-UHFFFAOYSA-N
XLogP4.44
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 10018417
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide
CID 10451105
4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 10623523
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide
CID 74440930
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 41337436
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-dipyridin-2-ylpropan-1-ol
CID 22482100
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 23290924
1-cyclopropyl-3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]urea
CID 113029407
N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653840
2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
CID 23290943
N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 609668

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide (CID 118062646) is 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide is COc1ccccc1N1CCN(CCC2(C)CCC(C(=O)Nc3ccccn3)CC2)CC1.
What is the InChIKey of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide?
The InChIKey is YAQGSYDYFONGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-26(12-10-21(11-13-26)25(31)28-24-9-5-6-15-27-24)14-16-29-17-19-30(20-18-29)22-7-3-4-8-23(22)32-2/h3-9,15,21H,10-14,16-20H2,1-2H3,(H,27,28,31).
What are the key properties of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide?
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 118062646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).