N-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methoxy-2-propoxybenzamide

C23H26FN3O4 — CID 67593096

IUPACN-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methoxy-2-propoxybenzamide
SMILESCCCOc1c(OC)cccc1C(=O)NN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C23H26FN3O4/c1-3-13-30-22-18(5-4-6-19(22)29-2)23(28)25-27-11-9-15(10-12-27)21-17-8-7-16(24)14-20(17)31-26-21/h4-8,14-15H,3,9-13H2,1-2H3,(H,25,28)
InChIKeyNSYFDXJPKQDVGO-UHFFFAOYSA-N
MW427.48 g/mol
LogP4.29
Rot. Bonds7

About N-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methoxy-2-propoxybenzamide

N-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methoxy-2-propoxybenzamide (PubChem CID 67593096) has the molecular formula C23H26FN3O4 and a molecular weight of 427.48 g/mol. Its IUPAC name is N-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methoxy-2-propoxybenzamide.

Molecular Properties

Compound NameN-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methoxy-2-propoxybenzamide
PubChem CID67593096
Molecular FormulaC23H26FN3O4
Molecular Weight427.48 g/mol
Exact Mass427.19
IUPAC NameN-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methoxy-2-propoxybenzamide
SMILESCCCOc1c(OC)cccc1C(=O)NN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C23H26FN3O4/c1-3-13-30-22-18(5-4-6-19(22)29-2)23(28)25-27-11-9-15(10-12-27)21-17-8-7-16(24)14-20(17)31-26-21/h4-8,14-15H,3,9-13H2,1-2H3,(H,25,28)
InChIKeyNSYFDXJPKQDVGO-UHFFFAOYSA-N
XLogP4.29
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methoxy-2-propoxybenzamide?
The IUPAC name of N-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methoxy-2-propoxybenzamide (CID 67593096) is N-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methoxy-2-propoxybenzamide.
What is the SMILES notation for N-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methoxy-2-propoxybenzamide?
The canonical SMILES for N-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methoxy-2-propoxybenzamide is CCCOc1c(OC)cccc1C(=O)NN1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of N-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methoxy-2-propoxybenzamide?
The InChIKey is NSYFDXJPKQDVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4/c1-3-13-30-22-18(5-4-6-19(22)29-2)23(28)25-27-11-9-15(10-12-27)21-17-8-7-16(24)14-20(17)31-26-21/h4-8,14-15H,3,9-13H2,1-2H3,(H,25,28).
What are the key properties of N-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methoxy-2-propoxybenzamide?
N-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methoxy-2-propoxybenzamide has a molecular weight of 427.48 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methoxy-2-propoxybenzamide is sourced from PubChem (CID 67593096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).