2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide

C23H41N3O2 — CID 46295242

IUPAC2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide
SMILESCN(CCNC(=O)CC1CCN(C(=O)C2CCCCC2)CC1)C1CCCCC1
InChIInChI=1S/C23H41N3O2/c1-25(21-10-6-3-7-11-21)17-14-24-22(27)18-19-12-15-26(16-13-19)23(28)20-8-4-2-5-9-20/h19-21H,2-18H2,1H3,(H,24,27)
InChIKeyYWZCMQJVZFZWBM-UHFFFAOYSA-N
MW391.60 g/mol
LogP3.58
Rot. Bonds7

About 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide (PubChem CID 46295242) has the molecular formula C23H41N3O2 and a molecular weight of 391.60 g/mol. Its IUPAC name is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide
PubChem CID46295242
Molecular FormulaC23H41N3O2
Molecular Weight391.60 g/mol
Exact Mass391.32
IUPAC Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide
SMILESCN(CCNC(=O)CC1CCN(C(=O)C2CCCCC2)CC1)C1CCCCC1
InChIInChI=1S/C23H41N3O2/c1-25(21-10-6-3-7-11-21)17-14-24-22(27)18-19-12-15-26(16-13-19)23(28)20-8-4-2-5-9-20/h19-21H,2-18H2,1H3,(H,24,27)
InChIKeyYWZCMQJVZFZWBM-UHFFFAOYSA-N
XLogP3.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.60
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide 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 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide?
The IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide (CID 46295242) is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide?
The canonical SMILES for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide is CN(CCNC(=O)CC1CCN(C(=O)C2CCCCC2)CC1)C1CCCCC1.
What is the InChIKey of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide?
The InChIKey is YWZCMQJVZFZWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3O2/c1-25(21-10-6-3-7-11-21)17-14-24-22(27)18-19-12-15-26(16-13-19)23(28)20-8-4-2-5-9-20/h19-21H,2-18H2,1H3,(H,24,27).
What are the key properties of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide?
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide has a molecular weight of 391.60 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide is sourced from PubChem (CID 46295242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).