1-[(2-pyridin-3-ylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C26H26F3N3O — CID 134800978

IUPAC1-[(2-pyridin-3-ylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccccc2-c2cccnc2)CC1
InChIInChI=1S/C26H26F3N3O/c27-26(28,29)23-9-7-19(8-10-23)16-31-25(33)20-11-14-32(15-12-20)18-22-4-1-2-6-24(22)21-5-3-13-30-17-21/h1-10,13,17,20H,11-12,14-16,18H2,(H,31,33)
InChIKeySDEUOSREWHVMLK-UHFFFAOYSA-N
MW453.51 g/mol
LogP5.30
Rot. Bonds6

About 1-[(2-pyridin-3-ylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

1-[(2-pyridin-3-ylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 134800978) has the molecular formula C26H26F3N3O and a molecular weight of 453.51 g/mol. Its IUPAC name is 1-[(2-pyridin-3-ylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-pyridin-3-ylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID134800978
Molecular FormulaC26H26F3N3O
Molecular Weight453.51 g/mol
Exact Mass453.20
IUPAC Name1-[(2-pyridin-3-ylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccccc2-c2cccnc2)CC1
InChIInChI=1S/C26H26F3N3O/c27-26(28,29)23-9-7-19(8-10-23)16-31-25(33)20-11-14-32(15-12-20)18-22-4-1-2-6-24(22)21-5-3-13-30-17-21/h1-10,13,17,20H,11-12,14-16,18H2,(H,31,33)
InChIKeySDEUOSREWHVMLK-UHFFFAOYSA-N
XLogP5.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.51
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1Z)-5-Fluoro-2-methyl-N-(phenylmethyl)-1-(4-pyridinylmethylene)-1H-indene-3-acetamide hydrochloride (1:1)
CID 6445781
C3A receptor agonist
CID 44430519
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(pyridin-4-yl)phenyl]ethyl]amino}pentanamide
CID 10194354
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-{4-[4-(pyridin-4-yl)phenyl]phenyl}ethyl]amino}pentanamide
CID 23648309
Ro 23-7637
CID 129491
N-(3,3-diphenylpropyl)pyridine-4-carboxamide
CID 5193384
N-(3,3-Diphenyl-propyl)-2-pyridine-3-ylacetamide
CID 11976254
N-[3,3-Bis-(4-fluorophenyl)-propyl]-nicotinamide
CID 11976535
N-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide
CID 118450420
(2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 14783884
(4R,5R)-5-amino-1-[2-(pyridin-4-yl)ethyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204466
(2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(pyridin-4-yl)phenyl]phenyl}pentanamide
CID 11731743

Frequently Asked Questions

What is the IUPAC name of 1-[(2-pyridin-3-ylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-pyridin-3-ylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 134800978) is 1-[(2-pyridin-3-ylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-pyridin-3-ylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-pyridin-3-ylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccccc2-c2cccnc2)CC1.
What is the InChIKey of 1-[(2-pyridin-3-ylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is SDEUOSREWHVMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O/c27-26(28,29)23-9-7-19(8-10-23)16-31-25(33)20-11-14-32(15-12-20)18-22-4-1-2-6-24(22)21-5-3-13-30-17-21/h1-10,13,17,20H,11-12,14-16,18H2,(H,31,33).
What are the key properties of 1-[(2-pyridin-3-ylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
1-[(2-pyridin-3-ylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 453.51 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-pyridin-3-ylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 134800978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).