N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-3-methoxybenzamide

C30H33FN2O4 — CID 10074862

IUPACN-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(c2ccc(F)cc2)C2CCN(C3COCCC3(O)c3ccccc3)CC2)c1
InChIInChI=1S/C30H33FN2O4/c1-36-27-9-5-6-22(20-27)29(34)33(25-12-10-24(31)11-13-25)26-14-17-32(18-15-26)28-21-37-19-16-30(28,35)23-7-3-2-4-8-23/h2-13,20,26,28,35H,14-19,21H2,1H3
InChIKeyQLCZXAXHEMFUMY-UHFFFAOYSA-N
MW504.60 g/mol
LogP4.62
Rot. Bonds6

About N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-3-methoxybenzamide

N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-3-methoxybenzamide (PubChem CID 10074862) has the molecular formula C30H33FN2O4 and a molecular weight of 504.60 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-3-methoxybenzamide
PubChem CID10074862
Molecular FormulaC30H33FN2O4
Molecular Weight504.60 g/mol
Exact Mass504.24
IUPAC NameN-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(c2ccc(F)cc2)C2CCN(C3COCCC3(O)c3ccccc3)CC2)c1
InChIInChI=1S/C30H33FN2O4/c1-36-27-9-5-6-22(20-27)29(34)33(25-12-10-24(31)11-13-25)26-14-17-32(18-15-26)28-21-37-19-16-30(28,35)23-7-3-2-4-8-23/h2-13,20,26,28,35H,14-19,21H2,1H3
InChIKeyQLCZXAXHEMFUMY-UHFFFAOYSA-N
XLogP4.62
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.60
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 10098803
N-(4-fluorophenyl)-3-methoxy-N-[1-(4-oxooxan-3-yl)piperidin-4-yl]benzamide
CID 90775191
3-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91137183
3-methoxy-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91125540
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-phenylbenzamide
CID 46054236
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)-3-methoxybenzamide
CID 40505746
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide
CID 46054747
1-(3-methoxyphenyl)-2-morpholin-4-ylcyclohexan-1-ol
CID 3056591
N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide
CID 46047973
N-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzamide
CID 42858072
4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047925
N-(4-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide
CID 42853264

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-3-methoxybenzamide?
The IUPAC name of N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-3-methoxybenzamide (CID 10074862) is N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-3-methoxybenzamide is COc1cccc(C(=O)N(c2ccc(F)cc2)C2CCN(C3COCCC3(O)c3ccccc3)CC2)c1.
What is the InChIKey of N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-3-methoxybenzamide?
The InChIKey is QLCZXAXHEMFUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN2O4/c1-36-27-9-5-6-22(20-27)29(34)33(25-12-10-24(31)11-13-25)26-14-17-32(18-15-26)28-21-37-19-16-30(28,35)23-7-3-2-4-8-23/h2-13,20,26,28,35H,14-19,21H2,1H3.
What are the key properties of N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-3-methoxybenzamide?
N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-3-methoxybenzamide has a molecular weight of 504.60 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 10074862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).