2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide

C27H30FN3O3 — CID 11634049

IUPAC2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide
SMILESO=C(CN1CCC(Nc2ccc(F)cc2CO)CC1)Nc1ccc(C(O)c2ccccc2)cc1
InChIInChI=1S/C27H30FN3O3/c28-22-8-11-25(21(16-22)18-32)29-24-12-14-31(15-13-24)17-26(33)30-23-9-6-20(7-10-23)27(34)19-4-2-1-3-5-19/h1-11,16,24,27,29,32,34H,12-15,17-18H2,(H,30,33)
InChIKeyDWCNWSBPJRSQCN-UHFFFAOYSA-N
MW463.55 g/mol
LogP3.91
Rot. Bonds8

About 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide

2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide (PubChem CID 11634049) has the molecular formula C27H30FN3O3 and a molecular weight of 463.55 g/mol. Its IUPAC name is 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide
PubChem CID11634049
Molecular FormulaC27H30FN3O3
Molecular Weight463.55 g/mol
Exact Mass463.23
IUPAC Name2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide
SMILESO=C(CN1CCC(Nc2ccc(F)cc2CO)CC1)Nc1ccc(C(O)c2ccccc2)cc1
InChIInChI=1S/C27H30FN3O3/c28-22-8-11-25(21(16-22)18-32)29-24-12-14-31(15-13-24)17-26(33)30-23-9-6-20(7-10-23)27(34)19-4-2-1-3-5-19/h1-11,16,24,27,29,32,34H,12-15,17-18H2,(H,30,33)
InChIKeyDWCNWSBPJRSQCN-UHFFFAOYSA-N
XLogP3.91
TPSA84.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide
CID 11525126
2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-3-ylacetamide
CID 11682940
2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 91584812
2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(9-methylcarbazol-3-yl)acetamide
CID 11554039
N-(3-fluorophenyl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 33350694
2-[4-[2-(hydroxymethyl)-4-methylanilino]piperidin-1-yl]-N-quinolin-6-ylacetamide
CID 11668562
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 16589762
2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-pent-1-en-3-ylacetamide
CID 142998379
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 16909483
2-[4-(2-hydroxyanilino)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide
CID 24985384

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide?
The IUPAC name of 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide (CID 11634049) is 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide is O=C(CN1CCC(Nc2ccc(F)cc2CO)CC1)Nc1ccc(C(O)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide?
The InChIKey is DWCNWSBPJRSQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O3/c28-22-8-11-25(21(16-22)18-32)29-24-12-14-31(15-13-24)17-26(33)30-23-9-6-20(7-10-23)27(34)19-4-2-1-3-5-19/h1-11,16,24,27,29,32,34H,12-15,17-18H2,(H,30,33).
What are the key properties of 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide?
2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide has a molecular weight of 463.55 g/mol, XLogP of 3.91, 8 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-[4-[hydroxy(phenyl)methyl]phenyl]acetamide is sourced from PubChem (CID 11634049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).