4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C28H32FN3O — CID 110083648

IUPAC4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(Cc2cccnc2)CC1
InChIInChI=1S/C28H32FN3O/c1-21(2)31-27(33)28(12-15-32(16-13-28)20-22-7-6-14-30-19-22)18-24-8-3-4-11-26(24)23-9-5-10-25(29)17-23/h3-11,14,17,19,21H,12-13,15-16,18,20H2,1-2H3,(H,31,33)
InChIKeyAGFFXCCKMVBUJY-UHFFFAOYSA-N
MW445.58 g/mol
LogP5.24
Rot. Bonds7

About 4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide

4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 110083648) has the molecular formula C28H32FN3O and a molecular weight of 445.58 g/mol. Its IUPAC name is 4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID110083648
Molecular FormulaC28H32FN3O
Molecular Weight445.58 g/mol
Exact Mass445.25
IUPAC Name4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(Cc2cccnc2)CC1
InChIInChI=1S/C28H32FN3O/c1-21(2)31-27(33)28(12-15-32(16-13-28)20-22-7-6-14-30-19-22)18-24-8-3-4-11-26(24)23-9-5-10-25(29)17-23/h3-11,14,17,19,21H,12-13,15-16,18,20H2,1-2H3,(H,31,33)
InChIKeyAGFFXCCKMVBUJY-UHFFFAOYSA-N
XLogP5.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.58
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluorophenyl)methyl]-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231071
1-benzyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805544
4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 129454443
N-methyl-1-(pyridin-3-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083488
(3S)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92580032
(3R)-1-(3-fluorobenzoyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579909
1-(cyclopropanecarbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 155982803
1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 129460090
N-methyl-1-(pyridin-4-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083487
1-propanoyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 92620731
N-(2-methylpropyl)-1-(pyridin-3-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231102
N-prop-2-ynyl-1-(pyridin-3-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231116

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 110083648) is 4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide is CC(C)NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(Cc2cccnc2)CC1.
What is the InChIKey of 4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is AGFFXCCKMVBUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O/c1-21(2)31-27(33)28(12-15-32(16-13-28)20-22-7-6-14-30-19-22)18-24-8-3-4-11-26(24)23-9-5-10-25(29)17-23/h3-11,14,17,19,21H,12-13,15-16,18,20H2,1-2H3,(H,31,33).
What are the key properties of 4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 445.58 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 110083648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).