3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide

C26H26ClFN2O3 — CID 46055084

IUPAC3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
SMILESCOc1cc(CN2CCC(N(C(=O)c3cccc(Cl)c3)c3ccc(F)cc3)CC2)ccc1O
InChIInChI=1S/C26H26ClFN2O3/c1-33-25-15-18(5-10-24(25)31)17-29-13-11-23(12-14-29)30(22-8-6-21(28)7-9-22)26(32)19-3-2-4-20(27)16-19/h2-10,15-16,23,31H,11-14,17H2,1H3
InChIKeyMMWYZXIPXRXTMA-UHFFFAOYSA-N
MW468.96 g/mol
LogP5.50
Rot. Bonds6

About 3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide

3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 46055084) has the molecular formula C26H26ClFN2O3 and a molecular weight of 468.96 g/mol. Its IUPAC name is 3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
PubChem CID46055084
Molecular FormulaC26H26ClFN2O3
Molecular Weight468.96 g/mol
Exact Mass468.16
IUPAC Name3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
SMILESCOc1cc(CN2CCC(N(C(=O)c3cccc(Cl)c3)c3ccc(F)cc3)CC2)ccc1O
InChIInChI=1S/C26H26ClFN2O3/c1-33-25-15-18(5-10-24(25)31)17-29-13-11-23(12-14-29)30(22-8-6-21(28)7-9-22)26(32)19-3-2-4-20(27)16-19/h2-10,15-16,23,31H,11-14,17H2,1H3
InChIKeyMMWYZXIPXRXTMA-UHFFFAOYSA-N
XLogP5.50
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.96
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbenzamide
CID 46054860
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 42858157
N-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46048008
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide
CID 46054747
N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46052023
N-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide
CID 46054333
4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide
CID 46055350
N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)butanamide
CID 46054921
N-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide
CID 42853300
N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbenzamide
CID 46054475
N-(4-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide
CID 42853264
N-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46052058

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide (CID 46055084) is 3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide is COc1cc(CN2CCC(N(C(=O)c3cccc(Cl)c3)c3ccc(F)cc3)CC2)ccc1O.
What is the InChIKey of 3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is MMWYZXIPXRXTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN2O3/c1-33-25-15-18(5-10-24(25)31)17-29-13-11-23(12-14-29)30(22-8-6-21(28)7-9-22)26(32)19-3-2-4-20(27)16-19/h2-10,15-16,23,31H,11-14,17H2,1H3.
What are the key properties of 3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 468.96 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46055084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).