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

C25H27N3O — CID 46883510

IUPAC3-methyl-3-phenyl-N-[(4-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)NCc2ccc(-c3ccccn3)cc2)C1
InChIInChI=1S/C25H27N3O/c1-25(22-8-3-2-4-9-22)15-7-17-28(19-25)24(29)27-18-20-11-13-21(14-12-20)23-10-5-6-16-26-23/h2-6,8-14,16H,7,15,17-19H2,1H3,(H,27,29)
InChIKeyJQJWBTBQHCLTMC-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.01
Rot. Bonds4

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

3-methyl-3-phenyl-N-[(4-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide (PubChem CID 46883510) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-methyl-3-phenyl-N-[(4-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-3-phenyl-N-[(4-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide
PubChem CID46883510
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name3-methyl-3-phenyl-N-[(4-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)NCc2ccc(-c3ccccn3)cc2)C1
InChIInChI=1S/C25H27N3O/c1-25(22-8-3-2-4-9-22)15-7-17-28(19-25)24(29)27-18-20-11-13-21(14-12-20)23-10-5-6-16-26-23/h2-6,8-14,16H,7,15,17-19H2,1H3,(H,27,29)
InChIKeyJQJWBTBQHCLTMC-UHFFFAOYSA-N
XLogP5.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-N-[(4-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-methyl-3-phenyl-N-[(4-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide (CID 46883510) is 3-methyl-3-phenyl-N-[(4-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-3-phenyl-N-[(4-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-3-phenyl-N-[(4-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide is CC1(c2ccccc2)CCCN(C(=O)NCc2ccc(-c3ccccn3)cc2)C1.
What is the InChIKey of 3-methyl-3-phenyl-N-[(4-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is JQJWBTBQHCLTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-25(22-8-3-2-4-9-22)15-7-17-28(19-25)24(29)27-18-20-11-13-21(14-12-20)23-10-5-6-16-26-23/h2-6,8-14,16H,7,15,17-19H2,1H3,(H,27,29).
What are the key properties of 3-methyl-3-phenyl-N-[(4-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide?
3-methyl-3-phenyl-N-[(4-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-N-[(4-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 46883510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).