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

C32H68N4O4 — CID 142368554

IUPACethane;N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide
SMILESCC.CC.CC.COCCN1CCN(CC(=O)NC2CC(OC3CCN(CC(C)CC(C)COC)CC3)C2)CC1
InChIInChI=1S/C26H50N4O4.3C2H6/c1-21(15-22(2)20-33-4)18-29-7-5-24(6-8-29)34-25-16-23(17-25)27-26(31)19-30-11-9-28(10-12-30)13-14-32-3;3*1-2/h21-25H,5-20H2,1-4H3,(H,27,31);3*1-2H3
InChIKeyPUIKSIXFUCCIIS-UHFFFAOYSA-N
MW572.92 g/mol
LogP4.77
Rot. Bonds14

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

ethane;N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide (PubChem CID 142368554) has the molecular formula C32H68N4O4 and a molecular weight of 572.92 g/mol. Its IUPAC name is ethane;N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Nameethane;N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide
PubChem CID142368554
Molecular FormulaC32H68N4O4
Molecular Weight572.92 g/mol
Exact Mass572.52
IUPAC Nameethane;N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide
SMILESCC.CC.CC.COCCN1CCN(CC(=O)NC2CC(OC3CCN(CC(C)CC(C)COC)CC3)C2)CC1
InChIInChI=1S/C26H50N4O4.3C2H6/c1-21(15-22(2)20-33-4)18-29-7-5-24(6-8-29)34-25-16-23(17-25)27-26(31)19-30-11-9-28(10-12-30)13-14-32-3;3*1-2/h21-25H,5-20H2,1-4H3,(H,27,31);3*1-2H3
InChIKeyPUIKSIXFUCCIIS-UHFFFAOYSA-N
XLogP4.77
TPSA66.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.92
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of ethane;N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide (CID 142368554) is ethane;N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for ethane;N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for ethane;N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide is CC.CC.CC.COCCN1CCN(CC(=O)NC2CC(OC3CCN(CC(C)CC(C)COC)CC3)C2)CC1.
What is the InChIKey of ethane;N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide?
The InChIKey is PUIKSIXFUCCIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N4O4.3C2H6/c1-21(15-22(2)20-33-4)18-29-7-5-24(6-8-29)34-25-16-23(17-25)27-26(31)19-30-11-9-28(10-12-30)13-14-32-3;3*1-2/h21-25H,5-20H2,1-4H3,(H,27,31);3*1-2H3.
What are the key properties of ethane;N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide?
ethane;N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide has a molecular weight of 572.92 g/mol, XLogP of 4.77, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[3-[1-(5-methoxy-2,4-dimethylpentyl)piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 142368554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).