3-[3,4-dimethyl-1-[(2-pyridin-4-ylphenyl)methyl]piperidin-4-yl]benzamide

C26H29N3O — CID 67233820

IUPAC3-[3,4-dimethyl-1-[(2-pyridin-4-ylphenyl)methyl]piperidin-4-yl]benzamide
SMILESCC1CN(Cc2ccccc2-c2ccncc2)CCC1(C)c1cccc(C(N)=O)c1
InChIInChI=1S/C26H29N3O/c1-19-17-29(15-12-26(19,2)23-8-5-7-21(16-23)25(27)30)18-22-6-3-4-9-24(22)20-10-13-28-14-11-20/h3-11,13-14,16,19H,12,15,17-18H2,1-2H3,(H2,27,30)
InChIKeyXFCOUASEZBXMNR-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.65
Rot. Bonds5

About 3-[3,4-dimethyl-1-[(2-pyridin-4-ylphenyl)methyl]piperidin-4-yl]benzamide

3-[3,4-dimethyl-1-[(2-pyridin-4-ylphenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 67233820) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 3-[3,4-dimethyl-1-[(2-pyridin-4-ylphenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-[3,4-dimethyl-1-[(2-pyridin-4-ylphenyl)methyl]piperidin-4-yl]benzamide
PubChem CID67233820
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name3-[3,4-dimethyl-1-[(2-pyridin-4-ylphenyl)methyl]piperidin-4-yl]benzamide
SMILESCC1CN(Cc2ccccc2-c2ccncc2)CCC1(C)c1cccc(C(N)=O)c1
InChIInChI=1S/C26H29N3O/c1-19-17-29(15-12-26(19,2)23-8-5-7-21(16-23)25(27)30)18-22-6-3-4-9-24(22)20-10-13-28-14-11-20/h3-11,13-14,16,19H,12,15,17-18H2,1-2H3,(H2,27,30)
InChIKeyXFCOUASEZBXMNR-UHFFFAOYSA-N
XLogP4.65
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3,4-dimethyl-1-[(2-pyridin-4-ylphenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-[3,4-dimethyl-1-[(2-pyridin-4-ylphenyl)methyl]piperidin-4-yl]benzamide (CID 67233820) is 3-[3,4-dimethyl-1-[(2-pyridin-4-ylphenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-[3,4-dimethyl-1-[(2-pyridin-4-ylphenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-[3,4-dimethyl-1-[(2-pyridin-4-ylphenyl)methyl]piperidin-4-yl]benzamide is CC1CN(Cc2ccccc2-c2ccncc2)CCC1(C)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[3,4-dimethyl-1-[(2-pyridin-4-ylphenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is XFCOUASEZBXMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-19-17-29(15-12-26(19,2)23-8-5-7-21(16-23)25(27)30)18-22-6-3-4-9-24(22)20-10-13-28-14-11-20/h3-11,13-14,16,19H,12,15,17-18H2,1-2H3,(H2,27,30).
What are the key properties of 3-[3,4-dimethyl-1-[(2-pyridin-4-ylphenyl)methyl]piperidin-4-yl]benzamide?
3-[3,4-dimethyl-1-[(2-pyridin-4-ylphenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 399.54 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4-dimethyl-1-[(2-pyridin-4-ylphenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 67233820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).