4-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-1-propan-2-ylpiperazin-2-one

C21H42N4O — CID 167273686

IUPAC4-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCN(C(C)CCC(C)N2CCN(C(C)C)C(=O)C2)C(C)C1
InChIInChI=1S/C21H42N4O/c1-16(2)22-10-13-25(20(7)14-22)19(6)9-8-18(5)23-11-12-24(17(3)4)21(26)15-23/h16-20H,8-15H2,1-7H3
InChIKeyYPIONLVSPOSILQ-UHFFFAOYSA-N
MW366.59 g/mol
LogP2.51
Rot. Bonds7

About 4-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-1-propan-2-ylpiperazin-2-one

4-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-1-propan-2-ylpiperazin-2-one (PubChem CID 167273686) has the molecular formula C21H42N4O and a molecular weight of 366.59 g/mol. Its IUPAC name is 4-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-1-propan-2-ylpiperazin-2-one
PubChem CID167273686
Molecular FormulaC21H42N4O
Molecular Weight366.59 g/mol
Exact Mass366.34
IUPAC Name4-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCN(C(C)CCC(C)N2CCN(C(C)C)C(=O)C2)C(C)C1
InChIInChI=1S/C21H42N4O/c1-16(2)22-10-13-25(20(7)14-22)19(6)9-8-18(5)23-11-12-24(17(3)4)21(26)15-23/h16-20H,8-15H2,1-7H3
InChIKeyYPIONLVSPOSILQ-UHFFFAOYSA-N
XLogP2.51
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-1-propan-2-ylpiperazin-2-one (CID 167273686) is 4-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-1-propan-2-ylpiperazin-2-one is CC(C)N1CCN(C(C)CCC(C)N2CCN(C(C)C)C(=O)C2)C(C)C1.
What is the InChIKey of 4-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-1-propan-2-ylpiperazin-2-one?
The InChIKey is YPIONLVSPOSILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N4O/c1-16(2)22-10-13-25(20(7)14-22)19(6)9-8-18(5)23-11-12-24(17(3)4)21(26)15-23/h16-20H,8-15H2,1-7H3.
What are the key properties of 4-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-1-propan-2-ylpiperazin-2-one?
4-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-1-propan-2-ylpiperazin-2-one has a molecular weight of 366.59 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 167273686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).