2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

C24H30FN3O3 — CID 91584812

IUPAC2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CN1CCC(Nc2ccc(F)cc2CO)CC1)Nc1cccc2c1CCCC2O
InChIInChI=1S/C24H30FN3O3/c25-17-7-8-21(16(13-17)15-29)26-18-9-11-28(12-10-18)14-24(31)27-22-5-1-4-20-19(22)3-2-6-23(20)30/h1,4-5,7-8,13,18,23,26,29-30H,2-3,6,9-12,14-15H2,(H,27,31)
InChIKeyYHBYWERRABZVGH-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.20
Rot. Bonds6

About 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 91584812) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
PubChem CID91584812
Molecular FormulaC24H30FN3O3
Molecular Weight427.52 g/mol
Exact Mass427.23
IUPAC Name2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CN1CCC(Nc2ccc(F)cc2CO)CC1)Nc1cccc2c1CCCC2O
InChIInChI=1S/C24H30FN3O3/c25-17-7-8-21(16(13-17)15-29)26-18-9-11-28(12-10-18)14-24(31)27-22-5-1-4-20-19(22)3-2-6-23(20)30/h1,4-5,7-8,13,18,23,26,29-30H,2-3,6,9-12,14-15H2,(H,27,31)
InChIKeyYHBYWERRABZVGH-UHFFFAOYSA-N
XLogP3.20
TPSA84.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide
CID 11634049
2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-3-ylacetamide
CID 11682940
N-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773
2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide
CID 11525126
2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(9-methylcarbazol-3-yl)acetamide
CID 11554039
N-(2,4-difluorophenyl)-2-(4-methoxypiperidin-1-yl)acetamide
CID 47131519
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylphenyl)acetamide
CID 60818956
2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-pent-1-en-3-ylacetamide
CID 142998379
N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923569
2-[4-[2-(hydroxymethyl)-4-methylanilino]piperidin-1-yl]-N-quinolin-6-ylacetamide
CID 11668562
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 17490744
2-[2-(cycloheptylamino)-5-fluorophenyl]acetic acid
CID 82304125

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (CID 91584812) is 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is O=C(CN1CCC(Nc2ccc(F)cc2CO)CC1)Nc1cccc2c1CCCC2O.
What is the InChIKey of 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is YHBYWERRABZVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3/c25-17-7-8-21(16(13-17)15-29)26-18-9-11-28(12-10-18)14-24(31)27-22-5-1-4-20-19(22)3-2-6-23(20)30/h1,4-5,7-8,13,18,23,26,29-30H,2-3,6,9-12,14-15H2,(H,27,31).
What are the key properties of 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 427.52 g/mol, XLogP of 3.20, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 91584812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).