methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate

C12H21NO4 — CID 79199255

IUPACmethyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCCCO)CC1
InChIInChI=1S/C12H21NO4/c1-17-12(16)10-5-7-13(8-6-10)11(15)4-2-3-9-14/h10,14H,2-9H2,1H3
InChIKeyOVSKZSKDTSZMQT-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.56
Rot. Bonds5

About methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate

methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate (PubChem CID 79199255) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate
PubChem CID79199255
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCCCO)CC1
InChIInChI=1S/C12H21NO4/c1-17-12(16)10-5-7-13(8-6-10)11(15)4-2-3-9-14/h10,14H,2-9H2,1H3
InChIKeyOVSKZSKDTSZMQT-UHFFFAOYSA-N
XLogP0.56
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 1-heptanoylpiperidine-4-carboxylate
CID 43423316
1-(5-hydroxypentanoyl)piperidine-4-carboxamide
CID 79199439
methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957
5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 19039692
methyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate
CID 115538681
methyl 1-[2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetyl]piperidine-4-carboxylate
CID 28959379
N-[[1-(5-hydroxypentanoyl)piperidin-4-yl]methyl]acetamide
CID 102737035
5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
CID 103503955
methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate
CID 47006242
methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate
CID 62212418
1-(4-hydroxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 79200392
methyl 1-[4-(2-aminophenoxy)butanoyl]piperidine-4-carboxylate
CID 84551777

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate (CID 79199255) is methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CCCCO)CC1.
What is the InChIKey of methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate?
The InChIKey is OVSKZSKDTSZMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-17-12(16)10-5-7-13(8-6-10)11(15)4-2-3-9-14/h10,14H,2-9H2,1H3.
What are the key properties of methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate?
methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 79199255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).