methyl (2R)-1-(cyclohexanecarbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate

C17H29N3O4 — CID 7161630

IUPACmethyl (2R)-1-(cyclohexanecarbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(C(=O)NC(C)C)CCN1C(=O)C1CCCCC1
InChIInChI=1S/C17H29N3O4/c1-12(2)18-17(23)19-9-10-20(14(11-19)16(22)24-3)15(21)13-7-5-4-6-8-13/h12-14H,4-11H2,1-3H3,(H,18,23)/t14-/m1/s1
InChIKeyBTZLSLBRJIPDLW-CQSZACIVSA-N
MW339.44 g/mol
LogP1.37
Rot. Bonds3

About methyl (2R)-1-(cyclohexanecarbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate

methyl (2R)-1-(cyclohexanecarbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate (PubChem CID 7161630) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is methyl (2R)-1-(cyclohexanecarbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(cyclohexanecarbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate
PubChem CID7161630
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Namemethyl (2R)-1-(cyclohexanecarbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(C(=O)NC(C)C)CCN1C(=O)C1CCCCC1
InChIInChI=1S/C17H29N3O4/c1-12(2)18-17(23)19-9-10-20(14(11-19)16(22)24-3)15(21)13-7-5-4-6-8-13/h12-14H,4-11H2,1-3H3,(H,18,23)/t14-/m1/s1
InChIKeyBTZLSLBRJIPDLW-CQSZACIVSA-N
XLogP1.37
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(cyclohexanecarbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(cyclohexanecarbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate (CID 7161630) is methyl (2R)-1-(cyclohexanecarbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(cyclohexanecarbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(cyclohexanecarbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate is COC(=O)[C@H]1CN(C(=O)NC(C)C)CCN1C(=O)C1CCCCC1.
What is the InChIKey of methyl (2R)-1-(cyclohexanecarbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate?
The InChIKey is BTZLSLBRJIPDLW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-12(2)18-17(23)19-9-10-20(14(11-19)16(22)24-3)15(21)13-7-5-4-6-8-13/h12-14H,4-11H2,1-3H3,(H,18,23)/t14-/m1/s1.
What are the key properties of methyl (2R)-1-(cyclohexanecarbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate?
methyl (2R)-1-(cyclohexanecarbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate has a molecular weight of 339.44 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(cyclohexanecarbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate is sourced from PubChem (CID 7161630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).