(3R)-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxamide

C26H27N3O2 — CID 92558246

IUPAC(3R)-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)c4ccccn4)C3)cc2)cc1
InChIInChI=1S/C26H27N3O2/c1-19-6-10-21(11-7-19)22-12-8-20(9-13-22)17-26(25(27)31)14-4-16-29(18-26)24(30)23-5-2-3-15-28-23/h2-3,5-13,15H,4,14,16-18H2,1H3,(H2,27,31)/t26-/m1/s1
InChIKeyQTIPDBFHJFWPBP-AREMUKBSSA-N
MW413.52 g/mol
LogP4.01
Rot. Bonds5

About (3R)-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxamide

(3R)-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxamide (PubChem CID 92558246) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is (3R)-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
PubChem CID92558246
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name(3R)-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)c4ccccn4)C3)cc2)cc1
InChIInChI=1S/C26H27N3O2/c1-19-6-10-21(11-7-19)22-12-8-20(9-13-22)17-26(25(27)31)14-4-16-29(18-26)24(30)23-5-2-3-15-28-23/h2-3,5-13,15H,4,14,16-18H2,1H3,(H2,27,31)/t26-/m1/s1
InChIKeyQTIPDBFHJFWPBP-AREMUKBSSA-N
XLogP4.01
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxamide (CID 92558246) is (3R)-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxamide is Cc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)c4ccccn4)C3)cc2)cc1.
What is the InChIKey of (3R)-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is QTIPDBFHJFWPBP-AREMUKBSSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-19-6-10-21(11-7-19)22-12-8-20(9-13-22)17-26(25(27)31)14-4-16-29(18-26)24(30)23-5-2-3-15-28-23/h2-3,5-13,15H,4,14,16-18H2,1H3,(H2,27,31)/t26-/m1/s1.
What are the key properties of (3R)-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxamide?
(3R)-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 92558246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).