propan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate

C12H22N2O4 — CID 115536096

IUPACpropan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate
SMILESCOC(=O)CCN1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C12H22N2O4/c1-10(2)18-12(16)14-8-6-13(7-9-14)5-4-11(15)17-3/h10H,4-9H2,1-3H3
InChIKeyNKMOKKQOQUDCGZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.71
Rot. Bonds4

About propan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate

propan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate (PubChem CID 115536096) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is propan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate
PubChem CID115536096
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namepropan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate
SMILESCOC(=O)CCN1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C12H22N2O4/c1-10(2)18-12(16)14-8-6-13(7-9-14)5-4-11(15)17-3/h10H,4-9H2,1-3H3
InChIKeyNKMOKKQOQUDCGZ-UHFFFAOYSA-N
XLogP0.71
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate
CID 47812170
methyl 3-(4-acetyl-1,4-diazepan-1-yl)propanoate
CID 60699890
methyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate
CID 113221897
methyl 3-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]propanoate
CID 78918272
ethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 109012603
methyl 3-[4-(2,2-diethoxyethyl)piperazin-1-yl]propanoate
CID 115537138
methyl 3-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanoate
CID 79166118
methyl 3-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]propanoate
CID 113221901
methyl 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoate
CID 78971806
ethyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]butanoate
CID 115537131
methyl 3-[4-[(Z)-2-methylpent-2-enoyl]piperazin-1-yl]propanoate
CID 78983790
methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate
CID 115537132

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate?
The IUPAC name of propan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate (CID 115536096) is propan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate is COC(=O)CCN1CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate?
The InChIKey is NKMOKKQOQUDCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-10(2)18-12(16)14-8-6-13(7-9-14)5-4-11(15)17-3/h10H,4-9H2,1-3H3.
What are the key properties of propan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate?
propan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate is sourced from PubChem (CID 115536096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).