2-[amino-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-N-(4-cyano-1-methylpiperidin-4-yl)-4,4-dimethylpentanamide

C28H50N8O2 — CID 69417767

IUPAC2-[amino-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-N-(4-cyano-1-methylpiperidin-4-yl)-4,4-dimethylpentanamide
SMILESCN1CCC(C#N)(NC(=O)C(CC(C)(C)C)N(N)C(CC(C)(C)C)C(=O)NC2(C#N)CCN(C)CC2)CC1
InChIInChI=1S/C28H50N8O2/c1-25(2,3)17-21(23(37)32-27(19-29)9-13-34(7)14-10-27)36(31)22(18-26(4,5)6)24(38)33-28(20-30)11-15-35(8)16-12-28/h21-22H,9-18,31H2,1-8H3,(H,32,37)(H,33,38)
InChIKeyGBHGZAVETMBNKD-UHFFFAOYSA-N
MW530.76 g/mol
LogP1.98
Rot. Bonds8

About 2-[amino-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-N-(4-cyano-1-methylpiperidin-4-yl)-4,4-dimethylpentanamide

2-[amino-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-N-(4-cyano-1-methylpiperidin-4-yl)-4,4-dimethylpentanamide (PubChem CID 69417767) has the molecular formula C28H50N8O2 and a molecular weight of 530.76 g/mol. Its IUPAC name is 2-[amino-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-N-(4-cyano-1-methylpiperidin-4-yl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[amino-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-N-(4-cyano-1-methylpiperidin-4-yl)-4,4-dimethylpentanamide
PubChem CID69417767
Molecular FormulaC28H50N8O2
Molecular Weight530.76 g/mol
Exact Mass530.41
IUPAC Name2-[amino-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-N-(4-cyano-1-methylpiperidin-4-yl)-4,4-dimethylpentanamide
SMILESCN1CCC(C#N)(NC(=O)C(CC(C)(C)C)N(N)C(CC(C)(C)C)C(=O)NC2(C#N)CCN(C)CC2)CC1
InChIInChI=1S/C28H50N8O2/c1-25(2,3)17-21(23(37)32-27(19-29)9-13-34(7)14-10-27)36(31)22(18-26(4,5)6)24(38)33-28(20-30)11-15-35(8)16-12-28/h21-22H,9-18,31H2,1-8H3,(H,32,37)(H,33,38)
InChIKeyGBHGZAVETMBNKD-UHFFFAOYSA-N
XLogP1.98
TPSA141.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.76
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[amino-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-N-(4-cyano-1-methylpiperidin-4-yl)-4,4-dimethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[amino-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-N-(4-cyano-1-methylpiperidin-4-yl)-4,4-dimethylpentanamide?
The IUPAC name of 2-[amino-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-N-(4-cyano-1-methylpiperidin-4-yl)-4,4-dimethylpentanamide (CID 69417767) is 2-[amino-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-N-(4-cyano-1-methylpiperidin-4-yl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-[amino-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-N-(4-cyano-1-methylpiperidin-4-yl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-[amino-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-N-(4-cyano-1-methylpiperidin-4-yl)-4,4-dimethylpentanamide is CN1CCC(C#N)(NC(=O)C(CC(C)(C)C)N(N)C(CC(C)(C)C)C(=O)NC2(C#N)CCN(C)CC2)CC1.
What is the InChIKey of 2-[amino-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-N-(4-cyano-1-methylpiperidin-4-yl)-4,4-dimethylpentanamide?
The InChIKey is GBHGZAVETMBNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50N8O2/c1-25(2,3)17-21(23(37)32-27(19-29)9-13-34(7)14-10-27)36(31)22(18-26(4,5)6)24(38)33-28(20-30)11-15-35(8)16-12-28/h21-22H,9-18,31H2,1-8H3,(H,32,37)(H,33,38).
What are the key properties of 2-[amino-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-N-(4-cyano-1-methylpiperidin-4-yl)-4,4-dimethylpentanamide?
2-[amino-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-N-(4-cyano-1-methylpiperidin-4-yl)-4,4-dimethylpentanamide has a molecular weight of 530.76 g/mol, XLogP of 1.98, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-N-(4-cyano-1-methylpiperidin-4-yl)-4,4-dimethylpentanamide is sourced from PubChem (CID 69417767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).