N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide

C28H32FN3O2 — CID 46054747

IUPACN-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccc(N(C)C)cc3)CC2)c1
InChIInChI=1S/C28H32FN3O2/c1-30(2)24-13-7-21(8-14-24)20-31-17-15-25(16-18-31)32(26-5-4-6-27(19-26)34-3)28(33)22-9-11-23(29)12-10-22/h4-14,19,25H,15-18,20H2,1-3H3
InChIKeyAPNTWGAWNNIHJT-UHFFFAOYSA-N
MW461.58 g/mol
LogP5.21
Rot. Bonds7

About N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide

N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide (PubChem CID 46054747) has the molecular formula C28H32FN3O2 and a molecular weight of 461.58 g/mol. Its IUPAC name is N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide
PubChem CID46054747
Molecular FormulaC28H32FN3O2
Molecular Weight461.58 g/mol
Exact Mass461.25
IUPAC NameN-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccc(N(C)C)cc3)CC2)c1
InChIInChI=1S/C28H32FN3O2/c1-30(2)24-13-7-21(8-14-24)20-31-17-15-25(16-18-31)32(26-5-4-6-27(19-26)34-3)28(33)22-9-11-23(29)12-10-22/h4-14,19,25H,15-18,20H2,1-3H3
InChIKeyAPNTWGAWNNIHJT-UHFFFAOYSA-N
XLogP5.21
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.58
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 46054990
N-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 46054408
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 42858157
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide
CID 46055099
N-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide
CID 46054333
4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047925
N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46052023
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide
CID 46054292
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-phenylbenzamide
CID 46054236
N-(4-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide
CID 42853264
N-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46048008
N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide
CID 46047973

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide?
The IUPAC name of N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide (CID 46054747) is N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide is COc1cccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccc(N(C)C)cc3)CC2)c1.
What is the InChIKey of N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide?
The InChIKey is APNTWGAWNNIHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O2/c1-30(2)24-13-7-21(8-14-24)20-31-17-15-25(16-18-31)32(26-5-4-6-27(19-26)34-3)28(33)22-9-11-23(29)12-10-22/h4-14,19,25H,15-18,20H2,1-3H3.
What are the key properties of N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide?
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide has a molecular weight of 461.58 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 46054747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).