N'-(4-cyano-1-propan-2-ylpiperidin-4-yl)-2,2-dimethylpentanediamide

C16H28N4O2 — CID 22063099

IUPACN'-(4-cyano-1-propan-2-ylpiperidin-4-yl)-2,2-dimethylpentanediamide
SMILESCC(C)N1CCC(C#N)(NC(=O)CCC(C)(C)C(N)=O)CC1
InChIInChI=1S/C16H28N4O2/c1-12(2)20-9-7-16(11-17,8-10-20)19-13(21)5-6-15(3,4)14(18)22/h12H,5-10H2,1-4H3,(H2,18,22)(H,19,21)
InChIKeyMSCSKBDPVDXCDG-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.16
Rot. Bonds6

About N'-(4-cyano-1-propan-2-ylpiperidin-4-yl)-2,2-dimethylpentanediamide

N'-(4-cyano-1-propan-2-ylpiperidin-4-yl)-2,2-dimethylpentanediamide (PubChem CID 22063099) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N'-(4-cyano-1-propan-2-ylpiperidin-4-yl)-2,2-dimethylpentanediamide.

Molecular Properties

Compound NameN'-(4-cyano-1-propan-2-ylpiperidin-4-yl)-2,2-dimethylpentanediamide
PubChem CID22063099
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC NameN'-(4-cyano-1-propan-2-ylpiperidin-4-yl)-2,2-dimethylpentanediamide
SMILESCC(C)N1CCC(C#N)(NC(=O)CCC(C)(C)C(N)=O)CC1
InChIInChI=1S/C16H28N4O2/c1-12(2)20-9-7-16(11-17,8-10-20)19-13(21)5-6-15(3,4)14(18)22/h12H,5-10H2,1-4H3,(H2,18,22)(H,19,21)
InChIKeyMSCSKBDPVDXCDG-UHFFFAOYSA-N
XLogP1.16
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.16
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-propan-2-ylpiperidin-4-yl)-2,2-dimethylpentanediamide?
The IUPAC name of N'-(4-cyano-1-propan-2-ylpiperidin-4-yl)-2,2-dimethylpentanediamide (CID 22063099) is N'-(4-cyano-1-propan-2-ylpiperidin-4-yl)-2,2-dimethylpentanediamide.
What is the SMILES notation for N'-(4-cyano-1-propan-2-ylpiperidin-4-yl)-2,2-dimethylpentanediamide?
The canonical SMILES for N'-(4-cyano-1-propan-2-ylpiperidin-4-yl)-2,2-dimethylpentanediamide is CC(C)N1CCC(C#N)(NC(=O)CCC(C)(C)C(N)=O)CC1.
What is the InChIKey of N'-(4-cyano-1-propan-2-ylpiperidin-4-yl)-2,2-dimethylpentanediamide?
The InChIKey is MSCSKBDPVDXCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-12(2)20-9-7-16(11-17,8-10-20)19-13(21)5-6-15(3,4)14(18)22/h12H,5-10H2,1-4H3,(H2,18,22)(H,19,21).
What are the key properties of N'-(4-cyano-1-propan-2-ylpiperidin-4-yl)-2,2-dimethylpentanediamide?
N'-(4-cyano-1-propan-2-ylpiperidin-4-yl)-2,2-dimethylpentanediamide has a molecular weight of 308.43 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyano-1-propan-2-ylpiperidin-4-yl)-2,2-dimethylpentanediamide is sourced from PubChem (CID 22063099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).