1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide

C26H30N4O — CID 24817459

IUPAC1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide
SMILESCCc1ncc(CN2CCCC(C(=O)Nc3cccc(-c4cccc(C)c4)c3)C2)cn1
InChIInChI=1S/C26H30N4O/c1-3-25-27-15-20(16-28-25)17-30-12-6-10-23(18-30)26(31)29-24-11-5-9-22(14-24)21-8-4-7-19(2)13-21/h4-5,7-9,11,13-16,23H,3,6,10,12,17-18H2,1-2H3,(H,29,31)
InChIKeyPCFRYGSPSYAEPV-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.87
Rot. Bonds6

About 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide

1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide (PubChem CID 24817459) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide
PubChem CID24817459
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide
SMILESCCc1ncc(CN2CCCC(C(=O)Nc3cccc(-c4cccc(C)c4)c3)C2)cn1
InChIInChI=1S/C26H30N4O/c1-3-25-27-15-20(16-28-25)17-30-12-6-10-23(18-30)26(31)29-24-11-5-9-22(14-24)21-8-4-7-19(2)13-21/h4-5,7-9,11,13-16,23H,3,6,10,12,17-18H2,1-2H3,(H,29,31)
InChIKeyPCFRYGSPSYAEPV-UHFFFAOYSA-N
XLogP4.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide (CID 24817459) is 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide is CCc1ncc(CN2CCCC(C(=O)Nc3cccc(-c4cccc(C)c4)c3)C2)cn1.
What is the InChIKey of 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide?
The InChIKey is PCFRYGSPSYAEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c1-3-25-27-15-20(16-28-25)17-30-12-6-10-23(18-30)26(31)29-24-11-5-9-22(14-24)21-8-4-7-19(2)13-21/h4-5,7-9,11,13-16,23H,3,6,10,12,17-18H2,1-2H3,(H,29,31).
What are the key properties of 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide?
1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 24817459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).