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;dihydrochloride

C28H52Cl2N8O2 — CID 69417766

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;dihydrochloride
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.Cl.Cl
InChIInChI=1S/C28H50N8O2.2ClH/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);2*1H
InChIKeyVVENVDNGKUBHEQ-UHFFFAOYSA-N
MW603.68 g/mol
LogP2.82
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;dihydrochloride

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;dihydrochloride (PubChem CID 69417766) has the molecular formula C28H52Cl2N8O2 and a molecular weight of 603.68 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;dihydrochloride.

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;dihydrochloride
PubChem CID69417766
Molecular FormulaC28H52Cl2N8O2
Molecular Weight603.68 g/mol
Exact Mass602.36
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;dihydrochloride
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.Cl.Cl
InChIInChI=1S/C28H50N8O2.2ClH/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);2*1H
InChIKeyVVENVDNGKUBHEQ-UHFFFAOYSA-N
XLogP2.82
TPSA141.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.68
LogP ≤ 52.82
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;dihydrochloride with MolForge

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Related Compounds

N'-(4-cyano-1-methylpiperidin-4-yl)-4-[[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-2,2-dimethylpentanediamide;dihydrochloride
CID 69416563
2-Amino-4,4-dimethyl-pentanoic acid(4-cyano-1-propyl-piperidin-4-yl)amide bis hydrochloride salt
CID 86585201
N'-(4-cyano-1-methylpiperidin-4-yl)-4-[[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-2,2-dimethylpentanediamide
CID 69416564
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

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;dihydrochloride?
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;dihydrochloride (CID 69417766) 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;dihydrochloride.
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;dihydrochloride?
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;dihydrochloride 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.Cl.Cl.
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;dihydrochloride?
The InChIKey is VVENVDNGKUBHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50N8O2.2ClH/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);2*1H.
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;dihydrochloride?
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;dihydrochloride has a molecular weight of 603.68 g/mol, XLogP of 2.82, 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;dihydrochloride is sourced from PubChem (CID 69417766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).