methyl 3-[4-(oxolan-3-ylcarbamoyl)piperazin-1-yl]propanoate

C13H23N3O4 — CID 115536102

IUPACmethyl 3-[4-(oxolan-3-ylcarbamoyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C(=O)NC2CCOC2)CC1
InChIInChI=1S/C13H23N3O4/c1-19-12(17)2-4-15-5-7-16(8-6-15)13(18)14-11-3-9-20-10-11/h11H,2-10H2,1H3,(H,14,18)
InChIKeyBIFWMXWMSKAGNG-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.33
Rot. Bonds4

About methyl 3-[4-(oxolan-3-ylcarbamoyl)piperazin-1-yl]propanoate

methyl 3-[4-(oxolan-3-ylcarbamoyl)piperazin-1-yl]propanoate (PubChem CID 115536102) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 3-[4-(oxolan-3-ylcarbamoyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(oxolan-3-ylcarbamoyl)piperazin-1-yl]propanoate
PubChem CID115536102
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Namemethyl 3-[4-(oxolan-3-ylcarbamoyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C(=O)NC2CCOC2)CC1
InChIInChI=1S/C13H23N3O4/c1-19-12(17)2-4-15-5-7-16(8-6-15)13(18)14-11-3-9-20-10-11/h11H,2-10H2,1H3,(H,14,18)
InChIKeyBIFWMXWMSKAGNG-UHFFFAOYSA-N
XLogP-0.33
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[4-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate
CID 78973033
methyl 3-[4-(oxan-4-yl)piperidin-1-yl]propanoate
CID 86769727
4-(acetamidomethyl)-N-(oxolan-3-yl)piperidine-1-carboxamide
CID 103839211
methyl 3-(4-acetamidopiperidin-1-yl)propanoate
CID 49438939
3,4-dimethyl-N-(oxolan-3-yl)piperidine-1-carboxamide
CID 115871728
methyl 3-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanoate
CID 79166118
2-[1-(oxan-3-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875942
methyl 3-(4-acetyl-1,4-diazepan-1-yl)propanoate
CID 60699890
methyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate
CID 113221897
3-[4-(cycloheptylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61194091
methyl 3-(4-trimethylsilylpiperazin-1-yl)propanoate
CID 140660761
methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate
CID 60745212

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(oxolan-3-ylcarbamoyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(oxolan-3-ylcarbamoyl)piperazin-1-yl]propanoate (CID 115536102) is methyl 3-[4-(oxolan-3-ylcarbamoyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(oxolan-3-ylcarbamoyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(oxolan-3-ylcarbamoyl)piperazin-1-yl]propanoate is COC(=O)CCN1CCN(C(=O)NC2CCOC2)CC1.
What is the InChIKey of methyl 3-[4-(oxolan-3-ylcarbamoyl)piperazin-1-yl]propanoate?
The InChIKey is BIFWMXWMSKAGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-19-12(17)2-4-15-5-7-16(8-6-15)13(18)14-11-3-9-20-10-11/h11H,2-10H2,1H3,(H,14,18).
What are the key properties of methyl 3-[4-(oxolan-3-ylcarbamoyl)piperazin-1-yl]propanoate?
methyl 3-[4-(oxolan-3-ylcarbamoyl)piperazin-1-yl]propanoate has a molecular weight of 285.34 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(oxolan-3-ylcarbamoyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 115536102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).