N'-(4-cyanopiperidin-4-yl)-N'-cyclohexyl-2,2-dimethylpentanediamide

C19H32N4O2 — CID 173253338

IUPACN'-(4-cyanopiperidin-4-yl)-N'-cyclohexyl-2,2-dimethylpentanediamide
SMILESCC(C)(CCC(=O)N(C1CCCCC1)C1(C#N)CCNCC1)C(N)=O
InChIInChI=1S/C19H32N4O2/c1-18(2,17(21)25)9-8-16(24)23(15-6-4-3-5-7-15)19(14-20)10-12-22-13-11-19/h15,22H,3-13H2,1-2H3,(H2,21,25)
InChIKeyJGQOUEKUDNQMDA-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.09
Rot. Bonds6

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

N'-(4-cyanopiperidin-4-yl)-N'-cyclohexyl-2,2-dimethylpentanediamide (PubChem CID 173253338) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N'-(4-cyanopiperidin-4-yl)-N'-cyclohexyl-2,2-dimethylpentanediamide.

Molecular Properties

Compound NameN'-(4-cyanopiperidin-4-yl)-N'-cyclohexyl-2,2-dimethylpentanediamide
PubChem CID173253338
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN'-(4-cyanopiperidin-4-yl)-N'-cyclohexyl-2,2-dimethylpentanediamide
SMILESCC(C)(CCC(=O)N(C1CCCCC1)C1(C#N)CCNCC1)C(N)=O
InChIInChI=1S/C19H32N4O2/c1-18(2,17(21)25)9-8-16(24)23(15-6-4-3-5-7-15)19(14-20)10-12-22-13-11-19/h15,22H,3-13H2,1-2H3,(H2,21,25)
InChIKeyJGQOUEKUDNQMDA-UHFFFAOYSA-N
XLogP2.09
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(4-cyanopiperidin-4-yl)-N'-cyclohexyl-2,2-dimethylpentanediamide?
The IUPAC name of N'-(4-cyanopiperidin-4-yl)-N'-cyclohexyl-2,2-dimethylpentanediamide (CID 173253338) is N'-(4-cyanopiperidin-4-yl)-N'-cyclohexyl-2,2-dimethylpentanediamide.
What is the SMILES notation for N'-(4-cyanopiperidin-4-yl)-N'-cyclohexyl-2,2-dimethylpentanediamide?
The canonical SMILES for N'-(4-cyanopiperidin-4-yl)-N'-cyclohexyl-2,2-dimethylpentanediamide is CC(C)(CCC(=O)N(C1CCCCC1)C1(C#N)CCNCC1)C(N)=O.
What is the InChIKey of N'-(4-cyanopiperidin-4-yl)-N'-cyclohexyl-2,2-dimethylpentanediamide?
The InChIKey is JGQOUEKUDNQMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-18(2,17(21)25)9-8-16(24)23(15-6-4-3-5-7-15)19(14-20)10-12-22-13-11-19/h15,22H,3-13H2,1-2H3,(H2,21,25).
What are the key properties of N'-(4-cyanopiperidin-4-yl)-N'-cyclohexyl-2,2-dimethylpentanediamide?
N'-(4-cyanopiperidin-4-yl)-N'-cyclohexyl-2,2-dimethylpentanediamide has a molecular weight of 348.49 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanopiperidin-4-yl)-N'-cyclohexyl-2,2-dimethylpentanediamide is sourced from PubChem (CID 173253338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).