methyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate

C11H19NO4 — CID 115538681

IUPACmethyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)CCCO)C1
InChIInChI=1S/C11H19NO4/c1-16-11(15)9-4-2-6-12(8-9)10(14)5-3-7-13/h9,13H,2-8H2,1H3
InChIKeySLFFJWPYXOHJCO-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.17
Rot. Bonds4

About methyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate

methyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate (PubChem CID 115538681) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate
PubChem CID115538681
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)CCCO)C1
InChIInChI=1S/C11H19NO4/c1-16-11(15)9-4-2-6-12(8-9)10(14)5-3-7-13/h9,13H,2-8H2,1H3
InChIKeySLFFJWPYXOHJCO-UHFFFAOYSA-N
XLogP0.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methoxycarbonylpiperidin-1-yl)-5-oxopentanoic acid
CID 115534000
methyl 1-octadecanoylpiperidine-3-carboxylate
CID 108731341
4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
CID 110465779
methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate
CID 78919532
methyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate
CID 78918849
methyl 1-(3-cyclopentylpropanoyl)piperidine-3-carboxylate
CID 78919049
3-(3-methoxycarbonylpiperidin-1-yl)-3-oxopropanoic acid
CID 115538673
methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate
CID 78919382
methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate
CID 79199255
methyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate
CID 78919240
methyl 1-(2-cyanoacetyl)piperidine-3-carboxylate
CID 110459560
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate (CID 115538681) is methyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)CCCO)C1.
What is the InChIKey of methyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate?
The InChIKey is SLFFJWPYXOHJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-16-11(15)9-4-2-6-12(8-9)10(14)5-3-7-13/h9,13H,2-8H2,1H3.
What are the key properties of methyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate?
methyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate is sourced from PubChem (CID 115538681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).