N'-[4-cyano-1-(2-phenylphenyl)piperidin-4-yl]-2,2-dimethylpentanediamide

C25H30N4O2 — CID 22063383

IUPACN'-[4-cyano-1-(2-phenylphenyl)piperidin-4-yl]-2,2-dimethylpentanediamide
SMILESCC(C)(CCC(=O)NC1(C#N)CCN(c2ccccc2-c2ccccc2)CC1)C(N)=O
InChIInChI=1S/C25H30N4O2/c1-24(2,23(27)31)13-12-22(30)28-25(18-26)14-16-29(17-15-25)21-11-7-6-10-20(21)19-8-4-3-5-9-19/h3-11H,12-17H2,1-2H3,(H2,27,31)(H,28,30)
InChIKeyUWURFGZAXRRQHA-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.62
Rot. Bonds7

About N'-[4-cyano-1-(2-phenylphenyl)piperidin-4-yl]-2,2-dimethylpentanediamide

N'-[4-cyano-1-(2-phenylphenyl)piperidin-4-yl]-2,2-dimethylpentanediamide (PubChem CID 22063383) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N'-[4-cyano-1-(2-phenylphenyl)piperidin-4-yl]-2,2-dimethylpentanediamide.

Molecular Properties

Compound NameN'-[4-cyano-1-(2-phenylphenyl)piperidin-4-yl]-2,2-dimethylpentanediamide
PubChem CID22063383
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN'-[4-cyano-1-(2-phenylphenyl)piperidin-4-yl]-2,2-dimethylpentanediamide
SMILESCC(C)(CCC(=O)NC1(C#N)CCN(c2ccccc2-c2ccccc2)CC1)C(N)=O
InChIInChI=1S/C25H30N4O2/c1-24(2,23(27)31)13-12-22(30)28-25(18-26)14-16-29(17-15-25)21-11-7-6-10-20(21)19-8-4-3-5-9-19/h3-11H,12-17H2,1-2H3,(H2,27,31)(H,28,30)
InChIKeyUWURFGZAXRRQHA-UHFFFAOYSA-N
XLogP3.62
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[4-cyano-1-(2-phenylphenyl)piperidin-4-yl]-2,2-dimethylpentanediamide?
The IUPAC name of N'-[4-cyano-1-(2-phenylphenyl)piperidin-4-yl]-2,2-dimethylpentanediamide (CID 22063383) is N'-[4-cyano-1-(2-phenylphenyl)piperidin-4-yl]-2,2-dimethylpentanediamide.
What is the SMILES notation for N'-[4-cyano-1-(2-phenylphenyl)piperidin-4-yl]-2,2-dimethylpentanediamide?
The canonical SMILES for N'-[4-cyano-1-(2-phenylphenyl)piperidin-4-yl]-2,2-dimethylpentanediamide is CC(C)(CCC(=O)NC1(C#N)CCN(c2ccccc2-c2ccccc2)CC1)C(N)=O.
What is the InChIKey of N'-[4-cyano-1-(2-phenylphenyl)piperidin-4-yl]-2,2-dimethylpentanediamide?
The InChIKey is UWURFGZAXRRQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-24(2,23(27)31)13-12-22(30)28-25(18-26)14-16-29(17-15-25)21-11-7-6-10-20(21)19-8-4-3-5-9-19/h3-11H,12-17H2,1-2H3,(H2,27,31)(H,28,30).
What are the key properties of N'-[4-cyano-1-(2-phenylphenyl)piperidin-4-yl]-2,2-dimethylpentanediamide?
N'-[4-cyano-1-(2-phenylphenyl)piperidin-4-yl]-2,2-dimethylpentanediamide has a molecular weight of 418.54 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-cyano-1-(2-phenylphenyl)piperidin-4-yl]-2,2-dimethylpentanediamide is sourced from PubChem (CID 22063383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).