2-amino-1-[4-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-3-(2-methylpropyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one

C26H32Cl4N4O2 — CID 69169129

IUPAC2-amino-1-[4-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-3-(2-methylpropyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one
SMILESCC(C)CC1CN(C(=O)C(N)Cc2ccc(Cl)cc2Cl)CCN1C(=O)C(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C26H32Cl4N4O2/c1-15(2)9-20-14-33(25(35)23(31)10-16-3-5-18(27)12-21(16)29)7-8-34(20)26(36)24(32)11-17-4-6-19(28)13-22(17)30/h3-6,12-13,15,20,23-24H,7-11,14,31-32H2,1-2H3
InChIKeyBDYXHKRJIDOQKU-UHFFFAOYSA-N
MW574.38 g/mol
LogP4.83
Rot. Bonds8

About 2-amino-1-[4-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-3-(2-methylpropyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one

2-amino-1-[4-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-3-(2-methylpropyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one (PubChem CID 69169129) has the molecular formula C26H32Cl4N4O2 and a molecular weight of 574.38 g/mol. Its IUPAC name is 2-amino-1-[4-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-3-(2-methylpropyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-3-(2-methylpropyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one
PubChem CID69169129
Molecular FormulaC26H32Cl4N4O2
Molecular Weight574.38 g/mol
Exact Mass572.13
IUPAC Name2-amino-1-[4-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-3-(2-methylpropyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one
SMILESCC(C)CC1CN(C(=O)C(N)Cc2ccc(Cl)cc2Cl)CCN1C(=O)C(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C26H32Cl4N4O2/c1-15(2)9-20-14-33(25(35)23(31)10-16-3-5-18(27)12-21(16)29)7-8-34(20)26(36)24(32)11-17-4-6-19(28)13-22(17)30/h3-6,12-13,15,20,23-24H,7-11,14,31-32H2,1-2H3
InChIKeyBDYXHKRJIDOQKU-UHFFFAOYSA-N
XLogP4.83
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.38
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-3-(2-methylpropyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one?
The IUPAC name of 2-amino-1-[4-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-3-(2-methylpropyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one (CID 69169129) is 2-amino-1-[4-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-3-(2-methylpropyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-[4-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-3-(2-methylpropyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one?
The canonical SMILES for 2-amino-1-[4-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-3-(2-methylpropyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one is CC(C)CC1CN(C(=O)C(N)Cc2ccc(Cl)cc2Cl)CCN1C(=O)C(N)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-amino-1-[4-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-3-(2-methylpropyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one?
The InChIKey is BDYXHKRJIDOQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32Cl4N4O2/c1-15(2)9-20-14-33(25(35)23(31)10-16-3-5-18(27)12-21(16)29)7-8-34(20)26(36)24(32)11-17-4-6-19(28)13-22(17)30/h3-6,12-13,15,20,23-24H,7-11,14,31-32H2,1-2H3.
What are the key properties of 2-amino-1-[4-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-3-(2-methylpropyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one?
2-amino-1-[4-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-3-(2-methylpropyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one has a molecular weight of 574.38 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-3-(2-methylpropyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one is sourced from PubChem (CID 69169129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).