N-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperazin-1-yl]ethyl]-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]acetamide

C26H51N7O2 — CID 155215102

IUPACN-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperazin-1-yl]ethyl]-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]acetamide
SMILESCOCCN1CCN(N2CCN(CCNC(=O)CN3CCC(N4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C26H51N7O2/c1-24-3-10-31(11-4-24)25-5-8-30(9-6-25)23-26(34)27-7-12-28-13-17-32(18-14-28)33-19-15-29(16-20-33)21-22-35-2/h24-25H,3-23H2,1-2H3,(H,27,34)
InChIKeyQGYSZOCUKMXAPJ-UHFFFAOYSA-N
MW493.74 g/mol
LogP0.10
Rot. Bonds10

About N-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperazin-1-yl]ethyl]-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]acetamide

N-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperazin-1-yl]ethyl]-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]acetamide (PubChem CID 155215102) has the molecular formula C26H51N7O2 and a molecular weight of 493.74 g/mol. Its IUPAC name is N-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperazin-1-yl]ethyl]-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperazin-1-yl]ethyl]-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]acetamide
PubChem CID155215102
Molecular FormulaC26H51N7O2
Molecular Weight493.74 g/mol
Exact Mass493.41
IUPAC NameN-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperazin-1-yl]ethyl]-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]acetamide
SMILESCOCCN1CCN(N2CCN(CCNC(=O)CN3CCC(N4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C26H51N7O2/c1-24-3-10-31(11-4-24)25-5-8-30(9-6-25)23-26(34)27-7-12-28-13-17-32(18-14-28)33-19-15-29(16-20-33)21-22-35-2/h24-25H,3-23H2,1-2H3,(H,27,34)
InChIKeyQGYSZOCUKMXAPJ-UHFFFAOYSA-N
XLogP0.10
TPSA57.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.74
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperazin-1-yl]ethyl]-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperazin-1-yl]ethyl]-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]acetamide (CID 155215102) is N-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperazin-1-yl]ethyl]-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperazin-1-yl]ethyl]-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperazin-1-yl]ethyl]-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]acetamide is COCCN1CCN(N2CCN(CCNC(=O)CN3CCC(N4CCC(C)CC4)CC3)CC2)CC1.
What is the InChIKey of N-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperazin-1-yl]ethyl]-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]acetamide?
The InChIKey is QGYSZOCUKMXAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51N7O2/c1-24-3-10-31(11-4-24)25-5-8-30(9-6-25)23-26(34)27-7-12-28-13-17-32(18-14-28)33-19-15-29(16-20-33)21-22-35-2/h24-25H,3-23H2,1-2H3,(H,27,34).
What are the key properties of N-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperazin-1-yl]ethyl]-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]acetamide?
N-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperazin-1-yl]ethyl]-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]acetamide has a molecular weight of 493.74 g/mol, XLogP of 0.10, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperazin-1-yl]ethyl]-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 155215102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).