1-O-tert-butyl 2-O-cyclopentyl piperazine-1,2-dicarboxylate

C15H26N2O4 — CID 67976605

IUPAC1-O-tert-butyl 2-O-cyclopentyl piperazine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1C(=O)OC1CCCC1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)21-14(19)17-9-8-16-10-12(17)13(18)20-11-6-4-5-7-11/h11-12,16H,4-10H2,1-3H3
InChIKeyVKZZFLSPFYBSNX-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.68
Rot. Bonds2

About 1-O-tert-butyl 2-O-cyclopentyl piperazine-1,2-dicarboxylate

1-O-tert-butyl 2-O-cyclopentyl piperazine-1,2-dicarboxylate (PubChem CID 67976605) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-cyclopentyl piperazine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-cyclopentyl piperazine-1,2-dicarboxylate
PubChem CID67976605
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-O-tert-butyl 2-O-cyclopentyl piperazine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1C(=O)OC1CCCC1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)21-14(19)17-9-8-16-10-12(17)13(18)20-11-6-4-5-7-11/h11-12,16H,4-10H2,1-3H3
InChIKeyVKZZFLSPFYBSNX-UHFFFAOYSA-N
XLogP1.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-O-tert-butyl 2-O-cyclopentyl pyrrolidine-1,2-dicarboxylate
CID 71904508
azane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 154966146
1-O-tert-butyl 2-O-methyl (2S)-1,4-diazepane-1,2-dicarboxylate
CID 86325147
2-O-benzyl 1-O-tert-butyl (2S)-piperazine-1,2-dicarboxylate
CID 67807458
tert-butyl 2-(methoxycarbamoyl)piperazine-1-carboxylate
CID 86654626
tert-butyl 2-hydroxypiperazine-1-carboxylate
CID 45358354
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carbonyl]benzoic acid
CID 141001092
tert-butyl (5aS,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydropyrido[4,3-b]azepine-1-carboxylate
CID 95387190
ditert-butyl azetidine-1,2-dicarboxylate
CID 14821737
tert-butyl 2-methoxypiperazine-1-carboxylate
CID 101126129
tert-butyl 2-prop-2-ynylpiperazine-1-carboxylate
CID 141100068
tert-butyl 2-(2-methylpropylcarbamoyl)piperazine-1-carboxylate
CID 141077468

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-cyclopentyl piperazine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-cyclopentyl piperazine-1,2-dicarboxylate (CID 67976605) is 1-O-tert-butyl 2-O-cyclopentyl piperazine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-cyclopentyl piperazine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-cyclopentyl piperazine-1,2-dicarboxylate is CC(C)(C)OC(=O)N1CCNCC1C(=O)OC1CCCC1.
What is the InChIKey of 1-O-tert-butyl 2-O-cyclopentyl piperazine-1,2-dicarboxylate?
The InChIKey is VKZZFLSPFYBSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2,3)21-14(19)17-9-8-16-10-12(17)13(18)20-11-6-4-5-7-11/h11-12,16H,4-10H2,1-3H3.
What are the key properties of 1-O-tert-butyl 2-O-cyclopentyl piperazine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-cyclopentyl piperazine-1,2-dicarboxylate has a molecular weight of 298.38 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-cyclopentyl piperazine-1,2-dicarboxylate is sourced from PubChem (CID 67976605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).