N-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide

C29H33FN2O2 — CID 46054333

IUPACN-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C29H33FN2O2/c1-21(2)23-6-4-22(5-7-23)20-31-18-16-27(17-19-31)32(26-12-10-25(30)11-13-26)29(33)24-8-14-28(34-3)15-9-24/h4-15,21,27H,16-20H2,1-3H3
InChIKeyWUBFMNLXNQNRFC-UHFFFAOYSA-N
MW460.59 g/mol
LogP6.27
Rot. Bonds7

About N-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide

N-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 46054333) has the molecular formula C29H33FN2O2 and a molecular weight of 460.59 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide
PubChem CID46054333
Molecular FormulaC29H33FN2O2
Molecular Weight460.59 g/mol
Exact Mass460.25
IUPAC NameN-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C29H33FN2O2/c1-21(2)23-6-4-22(5-7-23)20-31-18-16-27(17-19-31)32(26-12-10-25(30)11-13-26)29(33)24-8-14-28(34-3)15-9-24/h4-15,21,27H,16-20H2,1-3H3
InChIKeyWUBFMNLXNQNRFC-UHFFFAOYSA-N
XLogP6.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.59
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46052023
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 42858157
N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide
CID 46047973
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide
CID 46054747
N-(4-fluorophenyl)-4-methoxy-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 42858501
N-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46048008
4-fluoro-N-(4-fluorophenyl)-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]benzamide
CID 46051946
N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 46054990
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-phenylbenzamide
CID 46054236
4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047925
3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46055084
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)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide (CID 46054333) is N-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide is COc1ccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is WUBFMNLXNQNRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN2O2/c1-21(2)23-6-4-22(5-7-23)20-31-18-16-27(17-19-31)32(26-12-10-25(30)11-13-26)29(33)24-8-14-28(34-3)15-9-24/h4-15,21,27H,16-20H2,1-3H3.
What are the key properties of N-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide?
N-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 460.59 g/mol, XLogP of 6.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46054333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).