N-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)propanamide

C21H24ClFN2O2 — CID 46161886

IUPACN-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)propanamide
SMILESCCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2cc(Cl)ccc2O)CC1
InChIInChI=1S/C21H24ClFN2O2/c1-2-21(27)25(18-6-4-17(23)5-7-18)19-9-11-24(12-10-19)14-15-13-16(22)3-8-20(15)26/h3-8,13,19,26H,2,9-12,14H2,1H3
InChIKeyWGGUPIWJMJYCRO-UHFFFAOYSA-N
MW390.89 g/mol
LogP4.59
Rot. Bonds5

About N-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)propanamide

N-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)propanamide (PubChem CID 46161886) has the molecular formula C21H24ClFN2O2 and a molecular weight of 390.89 g/mol. Its IUPAC name is N-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)propanamide
PubChem CID46161886
Molecular FormulaC21H24ClFN2O2
Molecular Weight390.89 g/mol
Exact Mass390.15
IUPAC NameN-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)propanamide
SMILESCCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2cc(Cl)ccc2O)CC1
InChIInChI=1S/C21H24ClFN2O2/c1-2-21(27)25(18-6-4-17(23)5-7-18)19-9-11-24(12-10-19)14-15-13-16(22)3-8-20(15)26/h3-8,13,19,26H,2,9-12,14H2,1H3
InChIKeyWGGUPIWJMJYCRO-UHFFFAOYSA-N
XLogP4.59
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-N-[2-[4-(4-methyl-N-propanoylanilino)piperidin-1-yl]ethyl]propanamide
CID 175358904
3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46055084
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)butanamide
CID 46054472
N-(4-ethylphenyl)-N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]butanamide
CID 46054963
N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46052023
N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbenzamide
CID 46054475
N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 46047958
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide
CID 46054953
2-[[1-[(5-chloro-2-fluorophenyl)methyl]azepan-4-yl]-methylamino]acetic acid
CID 122043538
2-[(4-amino-3-methylpiperidin-1-yl)methyl]-4-chlorophenol
CID 79879742
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbutanamide
CID 46054341
N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-2-methoxy-N-(4-methylphenyl)acetamide
CID 46161787

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)propanamide?
The IUPAC name of N-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)propanamide (CID 46161886) is N-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)propanamide is CCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2cc(Cl)ccc2O)CC1.
What is the InChIKey of N-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)propanamide?
The InChIKey is WGGUPIWJMJYCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O2/c1-2-21(27)25(18-6-4-17(23)5-7-18)19-9-11-24(12-10-19)14-15-13-16(22)3-8-20(15)26/h3-8,13,19,26H,2,9-12,14H2,1H3.
What are the key properties of N-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)propanamide?
N-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)propanamide has a molecular weight of 390.89 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 46161886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).