N-[2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dioxoisoindol-5-yl]decanamide

C32H39FN4O4 — CID 18467360

IUPACN-[2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dioxoisoindol-5-yl]decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)N(CCN1CCC(c3noc4cc(F)ccc34)CC1)C2=O
InChIInChI=1S/C32H39FN4O4/c1-2-3-4-5-6-7-8-9-29(38)34-24-11-13-25-27(21-24)32(40)37(31(25)39)19-18-36-16-14-22(15-17-36)30-26-12-10-23(33)20-28(26)41-35-30/h10-13,20-22H,2-9,14-19H2,1H3,(H,34,38)
InChIKeyHOZZPQGUZAHSNH-UHFFFAOYSA-N
MW562.69 g/mol
LogP6.52
Rot. Bonds13

About N-[2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dioxoisoindol-5-yl]decanamide

N-[2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dioxoisoindol-5-yl]decanamide (PubChem CID 18467360) has the molecular formula C32H39FN4O4 and a molecular weight of 562.69 g/mol. Its IUPAC name is N-[2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dioxoisoindol-5-yl]decanamide.

Molecular Properties

Compound NameN-[2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dioxoisoindol-5-yl]decanamide
PubChem CID18467360
Molecular FormulaC32H39FN4O4
Molecular Weight562.69 g/mol
Exact Mass562.30
IUPAC NameN-[2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dioxoisoindol-5-yl]decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)N(CCN1CCC(c3noc4cc(F)ccc34)CC1)C2=O
InChIInChI=1S/C32H39FN4O4/c1-2-3-4-5-6-7-8-9-29(38)34-24-11-13-25-27(21-24)32(40)37(31(25)39)19-18-36-16-14-22(15-17-36)30-26-12-10-23(33)20-28(26)41-35-30/h10-13,20-22H,2-9,14-19H2,1H3,(H,34,38)
InChIKeyHOZZPQGUZAHSNH-UHFFFAOYSA-N
XLogP6.52
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.69
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dioxoisoindol-5-yl]decanamide?
The IUPAC name of N-[2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dioxoisoindol-5-yl]decanamide (CID 18467360) is N-[2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dioxoisoindol-5-yl]decanamide.
What is the SMILES notation for N-[2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dioxoisoindol-5-yl]decanamide?
The canonical SMILES for N-[2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dioxoisoindol-5-yl]decanamide is CCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)N(CCN1CCC(c3noc4cc(F)ccc34)CC1)C2=O.
What is the InChIKey of N-[2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dioxoisoindol-5-yl]decanamide?
The InChIKey is HOZZPQGUZAHSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39FN4O4/c1-2-3-4-5-6-7-8-9-29(38)34-24-11-13-25-27(21-24)32(40)37(31(25)39)19-18-36-16-14-22(15-17-36)30-26-12-10-23(33)20-28(26)41-35-30/h10-13,20-22H,2-9,14-19H2,1H3,(H,34,38).
What are the key properties of N-[2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dioxoisoindol-5-yl]decanamide?
N-[2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dioxoisoindol-5-yl]decanamide has a molecular weight of 562.69 g/mol, XLogP of 6.52, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dioxoisoindol-5-yl]decanamide is sourced from PubChem (CID 18467360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).