N-[2-[(2R)-3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]-5-methoxyphenyl]acetamide

C24H29FN4O5 — CID 10277017

IUPACN-[2-[(2R)-3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]-5-methoxyphenyl]acetamide
SMILESCOc1ccc(OC[C@H](O)CN2CCC(n3c(=O)[nH]c4cc(F)ccc43)CC2)c(NC(C)=O)c1
InChIInChI=1S/C24H29FN4O5/c1-15(30)26-21-12-19(33-2)4-6-23(21)34-14-18(31)13-28-9-7-17(8-10-28)29-22-5-3-16(25)11-20(22)27-24(29)32/h3-6,11-12,17-18,31H,7-10,13-14H2,1-2H3,(H,26,30)(H,27,32)/t18-/m1/s1
InChIKeyLSEGCHHBKSUFED-GOSISDBHSA-N
MW472.52 g/mol
LogP2.51
Rot. Bonds8

About N-[2-[(2R)-3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]-5-methoxyphenyl]acetamide

N-[2-[(2R)-3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]-5-methoxyphenyl]acetamide (PubChem CID 10277017) has the molecular formula C24H29FN4O5 and a molecular weight of 472.52 g/mol. Its IUPAC name is N-[2-[(2R)-3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]-5-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2R)-3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]-5-methoxyphenyl]acetamide
PubChem CID10277017
Molecular FormulaC24H29FN4O5
Molecular Weight472.52 g/mol
Exact Mass472.21
IUPAC NameN-[2-[(2R)-3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]-5-methoxyphenyl]acetamide
SMILESCOc1ccc(OC[C@H](O)CN2CCC(n3c(=O)[nH]c4cc(F)ccc43)CC2)c(NC(C)=O)c1
InChIInChI=1S/C24H29FN4O5/c1-15(30)26-21-12-19(33-2)4-6-23(21)34-14-18(31)13-28-9-7-17(8-10-28)29-22-5-3-16(25)11-20(22)27-24(29)32/h3-6,11-12,17-18,31H,7-10,13-14H2,1-2H3,(H,26,30)(H,27,32)/t18-/m1/s1
InChIKeyLSEGCHHBKSUFED-GOSISDBHSA-N
XLogP2.51
TPSA108.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]-5-methoxyphenyl]acetamide?
The IUPAC name of N-[2-[(2R)-3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]-5-methoxyphenyl]acetamide (CID 10277017) is N-[2-[(2R)-3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]-5-methoxyphenyl]acetamide.
What is the SMILES notation for N-[2-[(2R)-3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]-5-methoxyphenyl]acetamide?
The canonical SMILES for N-[2-[(2R)-3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]-5-methoxyphenyl]acetamide is COc1ccc(OC[C@H](O)CN2CCC(n3c(=O)[nH]c4cc(F)ccc43)CC2)c(NC(C)=O)c1.
What is the InChIKey of N-[2-[(2R)-3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]-5-methoxyphenyl]acetamide?
The InChIKey is LSEGCHHBKSUFED-GOSISDBHSA-N. The full InChI is InChI=1S/C24H29FN4O5/c1-15(30)26-21-12-19(33-2)4-6-23(21)34-14-18(31)13-28-9-7-17(8-10-28)29-22-5-3-16(25)11-20(22)27-24(29)32/h3-6,11-12,17-18,31H,7-10,13-14H2,1-2H3,(H,26,30)(H,27,32)/t18-/m1/s1.
What are the key properties of N-[2-[(2R)-3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]-5-methoxyphenyl]acetamide?
N-[2-[(2R)-3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]-5-methoxyphenyl]acetamide has a molecular weight of 472.52 g/mol, XLogP of 2.51, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]-5-methoxyphenyl]acetamide is sourced from PubChem (CID 10277017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).