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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Related Compounds

[2-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]-phenylmethanone
CID 67636151
2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-propoxyphenol
CID 67592974
6-fluoro-3-[1-(3-methoxy-4-methyl-2-propoxyphenyl)piperidin-4-yl]-1,2-benzoxazole
CID 57303749
3-[1-[3-(2,3-dimethoxyphenoxy)propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 19599785
N-[3-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-4-methoxyphenyl]acetamide
CID 10343244
1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone;2-hydroxybenzoic acid
CID 69086261
[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl] N-butylcarbamate
CID 67591930
6-fluoro-3-[1-[3-(2-methoxy-4-propylphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole
CID 23373628
6-fluoro-3-(1-heptylpiperidin-4-yl)-1,2-benzoxazole
CID 174359166
3-[1-[3-(2,5-dimethoxyphenoxy)propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 18467222
4-(6-fluoro-1,2-benzoxazol-3-yl)-N-[6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]amino]hexyl]piperidine-1-carboxamide
CID 59651081
(E)-but-2-enedioic acid;bis(N-[3-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-4-methoxyphenyl]acetamide)
CID 131718778

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).