methyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate

C12H21NO4 — CID 79200751

IUPACmethyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)CCC(C)O
InChIInChI=1S/C12H21NO4/c1-9(14)6-7-11(15)13-8-4-3-5-10(13)12(16)17-2/h9-10,14H,3-8H2,1-2H3
InChIKeyDUDUVFBGBKJOBZ-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.70
Rot. Bonds4

About methyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate

methyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate (PubChem CID 79200751) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate
PubChem CID79200751
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)CCC(C)O
InChIInChI=1S/C12H21NO4/c1-9(14)6-7-11(15)13-8-4-3-5-10(13)12(16)17-2/h9-10,14H,3-8H2,1-2H3
InChIKeyDUDUVFBGBKJOBZ-UHFFFAOYSA-N
XLogP0.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(5-aminohexanoyl)piperidine-2-carboxylate
CID 82851617
methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate
CID 113451830
methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate
CID 103737516
methyl (2R)-1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 79832824
methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 115280159
methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 62590989
methyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate
CID 54870307
methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 79833510
2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate
CID 115536150
3-(2-methoxycarbonylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897501
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate (CID 79200751) is methyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)CCC(C)O.
What is the InChIKey of methyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate?
The InChIKey is DUDUVFBGBKJOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-9(14)6-7-11(15)13-8-4-3-5-10(13)12(16)17-2/h9-10,14H,3-8H2,1-2H3.
What are the key properties of methyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate?
methyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate is sourced from PubChem (CID 79200751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).