N'-(1-benzyl-4-cyanopiperidin-4-yl)-2,2-dimethylpentanediamide

C20H28N4O2 — CID 22063375

IUPACN'-(1-benzyl-4-cyanopiperidin-4-yl)-2,2-dimethylpentanediamide
SMILESCC(C)(CCC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)C(N)=O
InChIInChI=1S/C20H28N4O2/c1-19(2,18(22)26)9-8-17(25)23-20(15-21)10-12-24(13-11-20)14-16-6-4-3-5-7-16/h3-7H,8-14H2,1-2H3,(H2,22,26)(H,23,25)
InChIKeyGJLKIWDDGYGIHM-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.95
Rot. Bonds7

About N'-(1-benzyl-4-cyanopiperidin-4-yl)-2,2-dimethylpentanediamide

N'-(1-benzyl-4-cyanopiperidin-4-yl)-2,2-dimethylpentanediamide (PubChem CID 22063375) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N'-(1-benzyl-4-cyanopiperidin-4-yl)-2,2-dimethylpentanediamide.

Molecular Properties

Compound NameN'-(1-benzyl-4-cyanopiperidin-4-yl)-2,2-dimethylpentanediamide
PubChem CID22063375
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN'-(1-benzyl-4-cyanopiperidin-4-yl)-2,2-dimethylpentanediamide
SMILESCC(C)(CCC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)C(N)=O
InChIInChI=1S/C20H28N4O2/c1-19(2,18(22)26)9-8-17(25)23-20(15-21)10-12-24(13-11-20)14-16-6-4-3-5-7-16/h3-7H,8-14H2,1-2H3,(H2,22,26)(H,23,25)
InChIKeyGJLKIWDDGYGIHM-UHFFFAOYSA-N
XLogP1.95
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(1-benzyl-4-cyanopiperidin-4-yl)-2,2-dimethylpentanediamide?
The IUPAC name of N'-(1-benzyl-4-cyanopiperidin-4-yl)-2,2-dimethylpentanediamide (CID 22063375) is N'-(1-benzyl-4-cyanopiperidin-4-yl)-2,2-dimethylpentanediamide.
What is the SMILES notation for N'-(1-benzyl-4-cyanopiperidin-4-yl)-2,2-dimethylpentanediamide?
The canonical SMILES for N'-(1-benzyl-4-cyanopiperidin-4-yl)-2,2-dimethylpentanediamide is CC(C)(CCC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)C(N)=O.
What is the InChIKey of N'-(1-benzyl-4-cyanopiperidin-4-yl)-2,2-dimethylpentanediamide?
The InChIKey is GJLKIWDDGYGIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-19(2,18(22)26)9-8-17(25)23-20(15-21)10-12-24(13-11-20)14-16-6-4-3-5-7-16/h3-7H,8-14H2,1-2H3,(H2,22,26)(H,23,25).
What are the key properties of N'-(1-benzyl-4-cyanopiperidin-4-yl)-2,2-dimethylpentanediamide?
N'-(1-benzyl-4-cyanopiperidin-4-yl)-2,2-dimethylpentanediamide has a molecular weight of 356.47 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzyl-4-cyanopiperidin-4-yl)-2,2-dimethylpentanediamide is sourced from PubChem (CID 22063375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).