[(2R)-1-tert-butyl-4-propan-2-ylpiperazin-2-yl]-piperazin-1-ylmethanone

C16H32N4O — CID 154338624

IUPAC[(2R)-1-tert-butyl-4-propan-2-ylpiperazin-2-yl]-piperazin-1-ylmethanone
SMILESCC(C)N1CCN(C(C)(C)C)[C@@H](C(=O)N2CCNCC2)C1
InChIInChI=1S/C16H32N4O/c1-13(2)19-10-11-20(16(3,4)5)14(12-19)15(21)18-8-6-17-7-9-18/h13-14,17H,6-12H2,1-5H3/t14-/m1/s1
InChIKeyOUUNQIZMASIWHO-CQSZACIVSA-N
MW296.46 g/mol
LogP0.61
Rot. Bonds2

About [(2R)-1-tert-butyl-4-propan-2-ylpiperazin-2-yl]-piperazin-1-ylmethanone

[(2R)-1-tert-butyl-4-propan-2-ylpiperazin-2-yl]-piperazin-1-ylmethanone (PubChem CID 154338624) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is [(2R)-1-tert-butyl-4-propan-2-ylpiperazin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[(2R)-1-tert-butyl-4-propan-2-ylpiperazin-2-yl]-piperazin-1-ylmethanone
PubChem CID154338624
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name[(2R)-1-tert-butyl-4-propan-2-ylpiperazin-2-yl]-piperazin-1-ylmethanone
SMILESCC(C)N1CCN(C(C)(C)C)[C@@H](C(=O)N2CCNCC2)C1
InChIInChI=1S/C16H32N4O/c1-13(2)19-10-11-20(16(3,4)5)14(12-19)15(21)18-8-6-17-7-9-18/h13-14,17H,6-12H2,1-5H3/t14-/m1/s1
InChIKeyOUUNQIZMASIWHO-CQSZACIVSA-N
XLogP0.61
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-tert-butyl-4-propan-2-ylpiperazin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [(2R)-1-tert-butyl-4-propan-2-ylpiperazin-2-yl]-piperazin-1-ylmethanone (CID 154338624) is [(2R)-1-tert-butyl-4-propan-2-ylpiperazin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [(2R)-1-tert-butyl-4-propan-2-ylpiperazin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [(2R)-1-tert-butyl-4-propan-2-ylpiperazin-2-yl]-piperazin-1-ylmethanone is CC(C)N1CCN(C(C)(C)C)[C@@H](C(=O)N2CCNCC2)C1.
What is the InChIKey of [(2R)-1-tert-butyl-4-propan-2-ylpiperazin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is OUUNQIZMASIWHO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H32N4O/c1-13(2)19-10-11-20(16(3,4)5)14(12-19)15(21)18-8-6-17-7-9-18/h13-14,17H,6-12H2,1-5H3/t14-/m1/s1.
What are the key properties of [(2R)-1-tert-butyl-4-propan-2-ylpiperazin-2-yl]-piperazin-1-ylmethanone?
[(2R)-1-tert-butyl-4-propan-2-ylpiperazin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 296.46 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-tert-butyl-4-propan-2-ylpiperazin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 154338624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).