2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide

C23H42N4O2 — CID 46295231

IUPAC2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide
SMILESCCN1CCN(CCCNC(=O)CC2CCN(C(=O)C3CCCCC3)CC2)CC1
InChIInChI=1S/C23H42N4O2/c1-2-25-15-17-26(18-16-25)12-6-11-24-22(28)19-20-9-13-27(14-10-20)23(29)21-7-4-3-5-8-21/h20-21H,2-19H2,1H3,(H,24,28)
InChIKeyVMPSLCNLENBVBL-UHFFFAOYSA-N
MW406.62 g/mol
LogP2.34
Rot. Bonds8

About 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide (PubChem CID 46295231) has the molecular formula C23H42N4O2 and a molecular weight of 406.62 g/mol. Its IUPAC name is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide
PubChem CID46295231
Molecular FormulaC23H42N4O2
Molecular Weight406.62 g/mol
Exact Mass406.33
IUPAC Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide
SMILESCCN1CCN(CCCNC(=O)CC2CCN(C(=O)C3CCCCC3)CC2)CC1
InChIInChI=1S/C23H42N4O2/c1-2-25-15-17-26(18-16-25)12-6-11-24-22(28)19-20-9-13-27(14-10-20)23(29)21-7-4-3-5-8-21/h20-21H,2-19H2,1H3,(H,24,28)
InChIKeyVMPSLCNLENBVBL-UHFFFAOYSA-N
XLogP2.34
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.62
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide (CID 46295231) is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide is CCN1CCN(CCCNC(=O)CC2CCN(C(=O)C3CCCCC3)CC2)CC1.
What is the InChIKey of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide?
The InChIKey is VMPSLCNLENBVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4O2/c1-2-25-15-17-26(18-16-25)12-6-11-24-22(28)19-20-9-13-27(14-10-20)23(29)21-7-4-3-5-8-21/h20-21H,2-19H2,1H3,(H,24,28).
What are the key properties of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide?
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide has a molecular weight of 406.62 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 46295231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).