ethane;2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]acetamide

C29H60N4O4 — CID 142368363

IUPACethane;2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]acetamide
SMILESCC.CC.COCC(C)CC(C)CN1CCC(OC2CC(NC(=O)CN3CCN(CCO)CC3)C2)CC1
InChIInChI=1S/C25H48N4O4.2C2H6/c1-20(14-21(2)19-32-3)17-28-6-4-23(5-7-28)33-24-15-22(16-24)26-25(31)18-29-10-8-27(9-11-29)12-13-30;2*1-2/h20-24,30H,4-19H2,1-3H3,(H,26,31);2*1-2H3
InChIKeyQOMHFINDNVTILL-UHFFFAOYSA-N
MW528.82 g/mol
LogP3.09
Rot. Bonds13

About ethane;2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]acetamide

ethane;2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]acetamide (PubChem CID 142368363) has the molecular formula C29H60N4O4 and a molecular weight of 528.82 g/mol. Its IUPAC name is ethane;2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]acetamide.

Molecular Properties

Compound Nameethane;2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]acetamide
PubChem CID142368363
Molecular FormulaC29H60N4O4
Molecular Weight528.82 g/mol
Exact Mass528.46
IUPAC Nameethane;2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]acetamide
SMILESCC.CC.COCC(C)CC(C)CN1CCC(OC2CC(NC(=O)CN3CCN(CCO)CC3)C2)CC1
InChIInChI=1S/C25H48N4O4.2C2H6/c1-20(14-21(2)19-32-3)17-28-6-4-23(5-7-28)33-24-15-22(16-24)26-25(31)18-29-10-8-27(9-11-29)12-13-30;2*1-2/h20-24,30H,4-19H2,1-3H3,(H,26,31);2*1-2H3
InChIKeyQOMHFINDNVTILL-UHFFFAOYSA-N
XLogP3.09
TPSA77.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.82
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]acetamide?
The IUPAC name of ethane;2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]acetamide (CID 142368363) is ethane;2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]acetamide.
What is the SMILES notation for ethane;2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]acetamide?
The canonical SMILES for ethane;2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]acetamide is CC.CC.COCC(C)CC(C)CN1CCC(OC2CC(NC(=O)CN3CCN(CCO)CC3)C2)CC1.
What is the InChIKey of ethane;2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]acetamide?
The InChIKey is QOMHFINDNVTILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N4O4.2C2H6/c1-20(14-21(2)19-32-3)17-28-6-4-23(5-7-28)33-24-15-22(16-24)26-25(31)18-29-10-8-27(9-11-29)12-13-30;2*1-2/h20-24,30H,4-19H2,1-3H3,(H,26,31);2*1-2H3.
What are the key properties of ethane;2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]acetamide?
ethane;2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]acetamide has a molecular weight of 528.82 g/mol, XLogP of 3.09, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]acetamide is sourced from PubChem (CID 142368363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).