3,5-difluoro-N-[2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]ethyl]benzamide

C21H24F2N2O3 — CID 16676890

IUPAC3,5-difluoro-N-[2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]ethyl]benzamide
SMILESCOc1ccccc1C1(O)CCN(CCNC(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C21H24F2N2O3/c1-28-19-5-3-2-4-18(19)21(27)6-9-25(10-7-21)11-8-24-20(26)15-12-16(22)14-17(23)13-15/h2-5,12-14,27H,6-11H2,1H3,(H,24,26)
InChIKeyVOXPRRKSQQYIQJ-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.69
Rot. Bonds6

About 3,5-difluoro-N-[2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]ethyl]benzamide

3,5-difluoro-N-[2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]ethyl]benzamide (PubChem CID 16676890) has the molecular formula C21H24F2N2O3 and a molecular weight of 390.43 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]ethyl]benzamide
PubChem CID16676890
Molecular FormulaC21H24F2N2O3
Molecular Weight390.43 g/mol
Exact Mass390.18
IUPAC Name3,5-difluoro-N-[2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]ethyl]benzamide
SMILESCOc1ccccc1C1(O)CCN(CCNC(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C21H24F2N2O3/c1-28-19-5-3-2-4-18(19)21(27)6-9-25(10-7-21)11-8-24-20(26)15-12-16(22)14-17(23)13-15/h2-5,12-14,27H,6-11H2,1H3,(H,24,26)
InChIKeyVOXPRRKSQQYIQJ-UHFFFAOYSA-N
XLogP2.69
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
CID 46965021
N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200423
3-fluoro-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265812
4-fluoro-2-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
CID 21428983
3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 10024401
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 42266552
2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]acetamide
CID 16673348
4-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)oxane-4-carboxamide
CID 47717791
3-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444038
N-[2-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200156
2-hydroxy-3-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682639
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]ethyl]benzamide (CID 16676890) is 3,5-difluoro-N-[2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]ethyl]benzamide is COc1ccccc1C1(O)CCN(CCNC(=O)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 3,5-difluoro-N-[2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is VOXPRRKSQQYIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O3/c1-28-19-5-3-2-4-18(19)21(27)6-9-25(10-7-21)11-8-24-20(26)15-12-16(22)14-17(23)13-15/h2-5,12-14,27H,6-11H2,1H3,(H,24,26).
What are the key properties of 3,5-difluoro-N-[2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]ethyl]benzamide?
3,5-difluoro-N-[2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 390.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 16676890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).