N-[4-(3-methoxyphenyl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide

C26H29N3O2 — CID 45222744

IUPACN-[4-(3-methoxyphenyl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)C3CCCN(Cc4cccc(C)n4)C3)cc2)c1
InChIInChI=1S/C26H29N3O2/c1-19-6-3-9-24(27-19)18-29-15-5-8-22(17-29)26(30)28-23-13-11-20(12-14-23)21-7-4-10-25(16-21)31-2/h3-4,6-7,9-14,16,22H,5,8,15,17-18H2,1-2H3,(H,28,30)
InChIKeyCGMHQZKPVGSVDQ-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.92
Rot. Bonds6

About N-[4-(3-methoxyphenyl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide

N-[4-(3-methoxyphenyl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide (PubChem CID 45222744) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[4-(3-methoxyphenyl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methoxyphenyl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
PubChem CID45222744
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[4-(3-methoxyphenyl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)C3CCCN(Cc4cccc(C)n4)C3)cc2)c1
InChIInChI=1S/C26H29N3O2/c1-19-6-3-9-24(27-19)18-29-15-5-8-22(17-29)26(30)28-23-13-11-20(12-14-23)21-7-4-10-25(16-21)31-2/h3-4,6-7,9-14,16,22H,5,8,15,17-18H2,1-2H3,(H,28,30)
InChIKeyCGMHQZKPVGSVDQ-UHFFFAOYSA-N
XLogP4.92
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxyphenyl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(3-methoxyphenyl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide (CID 45222744) is N-[4-(3-methoxyphenyl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(3-methoxyphenyl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(3-methoxyphenyl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide is COc1cccc(-c2ccc(NC(=O)C3CCCN(Cc4cccc(C)n4)C3)cc2)c1.
What is the InChIKey of N-[4-(3-methoxyphenyl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide?
The InChIKey is CGMHQZKPVGSVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-19-6-3-9-24(27-19)18-29-15-5-8-22(17-29)26(30)28-23-13-11-20(12-14-23)21-7-4-10-25(16-21)31-2/h3-4,6-7,9-14,16,22H,5,8,15,17-18H2,1-2H3,(H,28,30).
What are the key properties of N-[4-(3-methoxyphenyl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide?
N-[4-(3-methoxyphenyl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxyphenyl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 45222744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).