trans-methyl (1S,2S)-2-(4-cyclopropylpiperazine-1-carbonyl)cyclopropane-1-carboxylate

C13H20N2O3 — CID 97062484

IUPACtrans-methyl (1S,2S)-2-(4-cyclopropylpiperazine-1-carbonyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H20N2O3/c1-18-13(17)11-8-10(11)12(16)15-6-4-14(5-7-15)9-2-3-9/h9-11H,2-8H2,1H3/t10-,11-/m0/s1
InChIKeyGBQZJMSOJIRHCN-QWRGUYRKSA-N
MW252.31 g/mol
LogP0.10
Rot. Bonds3

About trans-methyl (1S,2S)-2-(4-cyclopropylpiperazine-1-carbonyl)cyclopropane-1-carboxylate

trans-methyl (1S,2S)-2-(4-cyclopropylpiperazine-1-carbonyl)cyclopropane-1-carboxylate (PubChem CID 97062484) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is trans-methyl (1S,2S)-2-(4-cyclopropylpiperazine-1-carbonyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1S,2S)-2-(4-cyclopropylpiperazine-1-carbonyl)cyclopropane-1-carboxylate
PubChem CID97062484
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nametrans-methyl (1S,2S)-2-(4-cyclopropylpiperazine-1-carbonyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H20N2O3/c1-18-13(17)11-8-10(11)12(16)15-6-4-14(5-7-15)9-2-3-9/h9-11H,2-8H2,1H3/t10-,11-/m0/s1
InChIKeyGBQZJMSOJIRHCN-QWRGUYRKSA-N
XLogP0.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 114092241
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
methyl 4-cyclopentylpiperazine-1-carboxylate
CID 110708898
(4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone
CID 71878323
methyl 2-(3-piperidin-1-ylpiperidine-1-carbonyl)cyclopentane-1-carboxylate
CID 75473055
cis-methyl (1R,2S)-2-[4-[(3-methylphenyl)carbamoyl]piperazine-1-carbonyl]cyclopropane-1-carboxylate
CID 125129936
[3-(methylamino)cyclobutyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166945999
[2-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131791
methyl 8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 22944649
(1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 169029279
(4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 95284754

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1S,2S)-2-(4-cyclopropylpiperazine-1-carbonyl)cyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1S,2S)-2-(4-cyclopropylpiperazine-1-carbonyl)cyclopropane-1-carboxylate (CID 97062484) is trans-methyl (1S,2S)-2-(4-cyclopropylpiperazine-1-carbonyl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1S,2S)-2-(4-cyclopropylpiperazine-1-carbonyl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1S,2S)-2-(4-cyclopropylpiperazine-1-carbonyl)cyclopropane-1-carboxylate is COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(C2CC2)CC1.
What is the InChIKey of trans-methyl (1S,2S)-2-(4-cyclopropylpiperazine-1-carbonyl)cyclopropane-1-carboxylate?
The InChIKey is GBQZJMSOJIRHCN-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-18-13(17)11-8-10(11)12(16)15-6-4-14(5-7-15)9-2-3-9/h9-11H,2-8H2,1H3/t10-,11-/m0/s1.
What are the key properties of trans-methyl (1S,2S)-2-(4-cyclopropylpiperazine-1-carbonyl)cyclopropane-1-carboxylate?
trans-methyl (1S,2S)-2-(4-cyclopropylpiperazine-1-carbonyl)cyclopropane-1-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,2S)-2-(4-cyclopropylpiperazine-1-carbonyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 97062484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).