N-[3-(3-fluorophenyl)phenyl]-1-(quinolin-8-ylmethyl)piperidine-4-carboxamide

C28H26FN3O — CID 25455158

IUPACN-[3-(3-fluorophenyl)phenyl]-1-(quinolin-8-ylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(F)c2)c1)C1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C28H26FN3O/c29-25-10-2-6-22(17-25)23-7-3-11-26(18-23)31-28(33)21-12-15-32(16-13-21)19-24-8-1-5-20-9-4-14-30-27(20)24/h1-11,14,17-18,21H,12-13,15-16,19H2,(H,31,33)
InChIKeyBXCBLOYOHSTDKR-UHFFFAOYSA-N
MW439.53 g/mol
LogP5.89
Rot. Bonds5

About N-[3-(3-fluorophenyl)phenyl]-1-(quinolin-8-ylmethyl)piperidine-4-carboxamide

N-[3-(3-fluorophenyl)phenyl]-1-(quinolin-8-ylmethyl)piperidine-4-carboxamide (PubChem CID 25455158) has the molecular formula C28H26FN3O and a molecular weight of 439.53 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)phenyl]-1-(quinolin-8-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)phenyl]-1-(quinolin-8-ylmethyl)piperidine-4-carboxamide
PubChem CID25455158
Molecular FormulaC28H26FN3O
Molecular Weight439.53 g/mol
Exact Mass439.21
IUPAC NameN-[3-(3-fluorophenyl)phenyl]-1-(quinolin-8-ylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(F)c2)c1)C1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C28H26FN3O/c29-25-10-2-6-22(17-25)23-7-3-11-26(18-23)31-28(33)21-12-15-32(16-13-21)19-24-8-1-5-20-9-4-14-30-27(20)24/h1-11,14,17-18,21H,12-13,15-16,19H2,(H,31,33)
InChIKeyBXCBLOYOHSTDKR-UHFFFAOYSA-N
XLogP5.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.53
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55923455
1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031197
N-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide
CID 55841391
1-[(3-fluorophenyl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479400
1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 45019171
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 75471909
1-(naphthalen-1-ylmethyl)-N-phenylpiperidine-4-carboxamide
CID 18089122
N'-hydroxy-1-(quinolin-8-ylmethyl)piperidine-4-carboximidamide
CID 77038510
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134379
1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde
CID 62654466
(3R)-N-[2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42288539
1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 71869057

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)phenyl]-1-(quinolin-8-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(3-fluorophenyl)phenyl]-1-(quinolin-8-ylmethyl)piperidine-4-carboxamide (CID 25455158) is N-[3-(3-fluorophenyl)phenyl]-1-(quinolin-8-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)phenyl]-1-(quinolin-8-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(3-fluorophenyl)phenyl]-1-(quinolin-8-ylmethyl)piperidine-4-carboxamide is O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CCN(Cc2cccc3cccnc23)CC1.
What is the InChIKey of N-[3-(3-fluorophenyl)phenyl]-1-(quinolin-8-ylmethyl)piperidine-4-carboxamide?
The InChIKey is BXCBLOYOHSTDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O/c29-25-10-2-6-22(17-25)23-7-3-11-26(18-23)31-28(33)21-12-15-32(16-13-21)19-24-8-1-5-20-9-4-14-30-27(20)24/h1-11,14,17-18,21H,12-13,15-16,19H2,(H,31,33).
What are the key properties of N-[3-(3-fluorophenyl)phenyl]-1-(quinolin-8-ylmethyl)piperidine-4-carboxamide?
N-[3-(3-fluorophenyl)phenyl]-1-(quinolin-8-ylmethyl)piperidine-4-carboxamide has a molecular weight of 439.53 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)phenyl]-1-(quinolin-8-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 25455158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).