3-[1-[2-(4-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide

C23H27N3O — CID 11187573

IUPAC3-[1-[2-(4-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide
SMILESCC1CN(CCc2ccc(C#N)cc2)CCC1(C)c1cccc(C(N)=O)c1
InChIInChI=1S/C23H27N3O/c1-17-16-26(12-10-18-6-8-19(15-24)9-7-18)13-11-23(17,2)21-5-3-4-20(14-21)22(25)27/h3-9,14,17H,10-13,16H2,1-2H3,(H2,25,27)
InChIKeyWIVVMHSTYJWGKE-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.50
Rot. Bonds5

About 3-[1-[2-(4-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide

3-[1-[2-(4-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide (PubChem CID 11187573) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-[1-[2-(4-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-[1-[2-(4-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide
PubChem CID11187573
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name3-[1-[2-(4-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide
SMILESCC1CN(CCc2ccc(C#N)cc2)CCC1(C)c1cccc(C(N)=O)c1
InChIInChI=1S/C23H27N3O/c1-17-16-26(12-10-18-6-8-19(15-24)9-7-18)13-11-23(17,2)21-5-3-4-20(14-21)22(25)27/h3-9,14,17H,10-13,16H2,1-2H3,(H2,25,27)
InChIKeyWIVVMHSTYJWGKE-UHFFFAOYSA-N
XLogP3.50
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide?
The IUPAC name of 3-[1-[2-(4-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide (CID 11187573) is 3-[1-[2-(4-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide.
What is the SMILES notation for 3-[1-[2-(4-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide?
The canonical SMILES for 3-[1-[2-(4-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide is CC1CN(CCc2ccc(C#N)cc2)CCC1(C)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[1-[2-(4-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide?
The InChIKey is WIVVMHSTYJWGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-17-16-26(12-10-18-6-8-19(15-24)9-7-18)13-11-23(17,2)21-5-3-4-20(14-21)22(25)27/h3-9,14,17H,10-13,16H2,1-2H3,(H2,25,27).
What are the key properties of 3-[1-[2-(4-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide?
3-[1-[2-(4-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide has a molecular weight of 361.49 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide is sourced from PubChem (CID 11187573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).