N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]propanamide

C24H28FN3O3 — CID 162654494

IUPACN-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1
InChIInChI=1S/C24H28FN3O3/c1-2-23(29)26-19-5-7-20(8-6-19)30-15-3-12-28-13-10-17(11-14-28)24-21-9-4-18(25)16-22(21)31-27-24/h4-9,16-17H,2-3,10-15H2,1H3,(H,26,29)
InChIKeyCNLMPLRMBJLPIG-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.96
Rot. Bonds8

About N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]propanamide

N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]propanamide (PubChem CID 162654494) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]propanamide
PubChem CID162654494
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC NameN-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1
InChIInChI=1S/C24H28FN3O3/c1-2-23(29)26-19-5-7-20(8-6-19)30-15-3-12-28-13-10-17(11-14-28)24-21-9-4-18(25)16-22(21)31-27-24/h4-9,16-17H,2-3,10-15H2,1H3,(H,26,29)
InChIKeyCNLMPLRMBJLPIG-UHFFFAOYSA-N
XLogP4.96
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 135339817
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CID 135339856
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CID 21960086
CID 21960086
CID 134130775
CID 134130775
CID 134131472
CID 134131472
CID 5309100
CID 5309100
CID 975586
CID 975586
CID 9979063
CID 9979063
CID 10002473
CID 10002473
CID 10025444
CID 10025444

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]propanamide?
The IUPAC name of N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]propanamide (CID 162654494) is N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]propanamide.
What is the SMILES notation for N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]propanamide?
The canonical SMILES for N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]propanamide is CCC(=O)Nc1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1.
What is the InChIKey of N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]propanamide?
The InChIKey is CNLMPLRMBJLPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-2-23(29)26-19-5-7-20(8-6-19)30-15-3-12-28-13-10-17(11-14-28)24-21-9-4-18(25)16-22(21)31-27-24/h4-9,16-17H,2-3,10-15H2,1H3,(H,26,29).
What are the key properties of N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]propanamide?
N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]propanamide has a molecular weight of 425.50 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]propanamide is sourced from PubChem (CID 162654494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).