(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide

C26H26FN3O2 — CID 92573903

IUPAC(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide
SMILESNC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)Cc2cccnc2)C1
InChIInChI=1S/C26H26FN3O2/c27-23-7-2-1-6-22(23)21-10-8-19(9-11-21)16-26(25(28)32)12-4-14-30(18-26)24(31)15-20-5-3-13-29-17-20/h1-3,5-11,13,17H,4,12,14-16,18H2,(H2,28,32)/t26-/m0/s1
InChIKeyPAHYINRUJGYXEA-SANMLTNESA-N
MW431.51 g/mol
LogP3.77
Rot. Bonds6

About (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide

(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide (PubChem CID 92573903) has the molecular formula C26H26FN3O2 and a molecular weight of 431.51 g/mol. Its IUPAC name is (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide
PubChem CID92573903
Molecular FormulaC26H26FN3O2
Molecular Weight431.51 g/mol
Exact Mass431.20
IUPAC Name(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide
SMILESNC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)Cc2cccnc2)C1
InChIInChI=1S/C26H26FN3O2/c27-23-7-2-1-6-22(23)21-10-8-19(9-11-21)16-26(25(28)32)12-4-14-30(18-26)24(31)15-20-5-3-13-29-17-20/h1-3,5-11,13,17H,4,12,14-16,18H2,(H2,28,32)/t26-/m0/s1
InChIKeyPAHYINRUJGYXEA-SANMLTNESA-N
XLogP3.77
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585108
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide
CID 92573899
(3R)-1-(2-pyridin-3-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92569670
(3S)-1-(2-pyridin-3-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92569671
(3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609452
(3R)-1-(2-phenylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92574350
(3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92575331
(3S)-1-(3-cyclopentylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92570850
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 92605039
(3R)-3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(2-pyridin-3-ylacetyl)pyrrolidine-3-carboxamide
CID 92579849
3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide
CID 110232546
(3R)-N-methyl-1-(2-phenylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609431

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide (CID 92573903) is (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide is NC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)Cc2cccnc2)C1.
What is the InChIKey of (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide?
The InChIKey is PAHYINRUJGYXEA-SANMLTNESA-N. The full InChI is InChI=1S/C26H26FN3O2/c27-23-7-2-1-6-22(23)21-10-8-19(9-11-21)16-26(25(28)32)12-4-14-30(18-26)24(31)15-20-5-3-13-29-17-20/h1-3,5-11,13,17H,4,12,14-16,18H2,(H2,28,32)/t26-/m0/s1.
What are the key properties of (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide?
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide has a molecular weight of 431.51 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 92573903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).