methyl 4-[2-[(1R,3S)-3-methylcyclohexyl]oxyacetyl]piperazine-1-carboxylate

C15H26N2O4 — CID 96503144

IUPACmethyl 4-[2-[(1R,3S)-3-methylcyclohexyl]oxyacetyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)CO[C@@H]2CCC[C@H](C)C2)CC1
InChIInChI=1S/C15H26N2O4/c1-12-4-3-5-13(10-12)21-11-14(18)16-6-8-17(9-7-16)15(19)20-2/h12-13H,3-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyMZBZNMYVERIGSS-QWHCGFSZSA-N
MW298.38 g/mol
LogP1.49
Rot. Bonds3

About methyl 4-[2-[(1R,3S)-3-methylcyclohexyl]oxyacetyl]piperazine-1-carboxylate

methyl 4-[2-[(1R,3S)-3-methylcyclohexyl]oxyacetyl]piperazine-1-carboxylate (PubChem CID 96503144) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is methyl 4-[2-[(1R,3S)-3-methylcyclohexyl]oxyacetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[(1R,3S)-3-methylcyclohexyl]oxyacetyl]piperazine-1-carboxylate
PubChem CID96503144
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Namemethyl 4-[2-[(1R,3S)-3-methylcyclohexyl]oxyacetyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)CO[C@@H]2CCC[C@H](C)C2)CC1
InChIInChI=1S/C15H26N2O4/c1-12-4-3-5-13(10-12)21-11-14(18)16-6-8-17(9-7-16)15(19)20-2/h12-13H,3-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyMZBZNMYVERIGSS-QWHCGFSZSA-N
XLogP1.49
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(1R,3S)-3-methylcyclohexyl]oxyacetyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[2-[(1R,3S)-3-methylcyclohexyl]oxyacetyl]piperazine-1-carboxylate (CID 96503144) is methyl 4-[2-[(1R,3S)-3-methylcyclohexyl]oxyacetyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[2-[(1R,3S)-3-methylcyclohexyl]oxyacetyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[2-[(1R,3S)-3-methylcyclohexyl]oxyacetyl]piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)CO[C@@H]2CCC[C@H](C)C2)CC1.
What is the InChIKey of methyl 4-[2-[(1R,3S)-3-methylcyclohexyl]oxyacetyl]piperazine-1-carboxylate?
The InChIKey is MZBZNMYVERIGSS-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-12-4-3-5-13(10-12)21-11-14(18)16-6-8-17(9-7-16)15(19)20-2/h12-13H,3-11H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of methyl 4-[2-[(1R,3S)-3-methylcyclohexyl]oxyacetyl]piperazine-1-carboxylate?
methyl 4-[2-[(1R,3S)-3-methylcyclohexyl]oxyacetyl]piperazine-1-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(1R,3S)-3-methylcyclohexyl]oxyacetyl]piperazine-1-carboxylate is sourced from PubChem (CID 96503144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).