N-[[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butanoyl]-4-methylthiophen-2-yl]methyl]acetamide

C24H28FN3O3S — CID 19372884

IUPACN-[[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butanoyl]-4-methylthiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc(C)c(C(=O)CCCN2CCC(c3noc4cc(F)ccc34)CC2)s1
InChIInChI=1S/C24H28FN3O3S/c1-15-12-19(14-26-16(2)29)32-24(15)21(30)4-3-9-28-10-7-17(8-11-28)23-20-6-5-18(25)13-22(20)31-27-23/h5-6,12-13,17H,3-4,7-11,14H2,1-2H3,(H,26,29)
InChIKeySFCIEQWCBIREHP-UHFFFAOYSA-N
MW457.57 g/mol
LogP4.82
Rot. Bonds8

About N-[[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butanoyl]-4-methylthiophen-2-yl]methyl]acetamide

N-[[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butanoyl]-4-methylthiophen-2-yl]methyl]acetamide (PubChem CID 19372884) has the molecular formula C24H28FN3O3S and a molecular weight of 457.57 g/mol. Its IUPAC name is N-[[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butanoyl]-4-methylthiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butanoyl]-4-methylthiophen-2-yl]methyl]acetamide
PubChem CID19372884
Molecular FormulaC24H28FN3O3S
Molecular Weight457.57 g/mol
Exact Mass457.18
IUPAC NameN-[[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butanoyl]-4-methylthiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc(C)c(C(=O)CCCN2CCC(c3noc4cc(F)ccc34)CC2)s1
InChIInChI=1S/C24H28FN3O3S/c1-15-12-19(14-26-16(2)29)32-24(15)21(30)4-3-9-28-10-7-17(8-11-28)23-20-6-5-18(25)13-22(20)31-27-23/h5-6,12-13,17H,3-4,7-11,14H2,1-2H3,(H,26,29)
InChIKeySFCIEQWCBIREHP-UHFFFAOYSA-N
XLogP4.82
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butanoyl]-4-methylthiophene-2-carboxamide;hydrate
CID 67783444
N-[[5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]thiophen-2-yl]methyl]acetamide
CID 19372841
6-fluoro-3-(1-heptylpiperidin-4-yl)-1,2-benzoxazole
CID 174359166
N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]acetamide
CID 15391752
N-[[5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]thiophen-2-yl]methyl]-2-phenylacetamide
CID 19372914
6-fluoro-3-[1-(4-pyrrol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole
CID 141322820
4-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione
CID 14576394
bis(but-2-enedioic acid);6-fluoro-3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole
CID 67070997
N-ethyl-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine;dihydrochloride
CID 156540523
N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]-N-methylacetamide
CID 162670745
5-fluoro-N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 66801551
N-[3-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-4-methoxyphenyl]acetamide
CID 10343244

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butanoyl]-4-methylthiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butanoyl]-4-methylthiophen-2-yl]methyl]acetamide (CID 19372884) is N-[[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butanoyl]-4-methylthiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butanoyl]-4-methylthiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butanoyl]-4-methylthiophen-2-yl]methyl]acetamide is CC(=O)NCc1cc(C)c(C(=O)CCCN2CCC(c3noc4cc(F)ccc34)CC2)s1.
What is the InChIKey of N-[[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butanoyl]-4-methylthiophen-2-yl]methyl]acetamide?
The InChIKey is SFCIEQWCBIREHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3S/c1-15-12-19(14-26-16(2)29)32-24(15)21(30)4-3-9-28-10-7-17(8-11-28)23-20-6-5-18(25)13-22(20)31-27-23/h5-6,12-13,17H,3-4,7-11,14H2,1-2H3,(H,26,29).
What are the key properties of N-[[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butanoyl]-4-methylthiophen-2-yl]methyl]acetamide?
N-[[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butanoyl]-4-methylthiophen-2-yl]methyl]acetamide has a molecular weight of 457.57 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butanoyl]-4-methylthiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 19372884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).