methyl 3-piperidin-1-ylpentanoate

C11H21NO2 — CID 14178339

IUPACmethyl 3-piperidin-1-ylpentanoate
SMILESCCC(CC(=O)OC)N1CCCCC1
InChIInChI=1S/C11H21NO2/c1-3-10(9-11(13)14-2)12-7-5-4-6-8-12/h10H,3-9H2,1-2H3
InChIKeyLYYCDBVFTZKIQV-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.81
Rot. Bonds4

About methyl 3-piperidin-1-ylpentanoate

methyl 3-piperidin-1-ylpentanoate (PubChem CID 14178339) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 3-piperidin-1-ylpentanoate.

Molecular Properties

Compound Namemethyl 3-piperidin-1-ylpentanoate
PubChem CID14178339
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 3-piperidin-1-ylpentanoate
SMILESCCC(CC(=O)OC)N1CCCCC1
InChIInChI=1S/C11H21NO2/c1-3-10(9-11(13)14-2)12-7-5-4-6-8-12/h10H,3-9H2,1-2H3
InChIKeyLYYCDBVFTZKIQV-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(4-aminopiperidin-1-yl)pentanoate
CID 112709356
methyl (3S)-3-piperidin-1-ylbutanoate
CID 93106362
methyl (3R)-3-pyrrolidin-1-ylbutanoate
CID 93106309
dimethyl 2-pyrrolidin-1-ylbutanedioate
CID 4892838
ethyl 3-(azepan-1-yl)hexanoate
CID 64528200
(4R)-N-hydroxy-4-pyrrolidin-1-ylhexanamide
CID 131991593
butyl 6-amino-3-pyrrolidin-1-ylhexanoate
CID 66819869
ethyl (3R)-1-(4-methoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 113331162
2-(azocan-1-yl)butanoic acid
CID 43808973
2-ethyl-4-methoxy-4-oxobutanoate
CID 19842564
2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62437423
methyl (2R)-3-amino-2-piperidin-1-ylpropanoate
CID 86664944

Frequently Asked Questions

What is the IUPAC name of methyl 3-piperidin-1-ylpentanoate?
The IUPAC name of methyl 3-piperidin-1-ylpentanoate (CID 14178339) is methyl 3-piperidin-1-ylpentanoate.
What is the SMILES notation for methyl 3-piperidin-1-ylpentanoate?
The canonical SMILES for methyl 3-piperidin-1-ylpentanoate is CCC(CC(=O)OC)N1CCCCC1.
What is the InChIKey of methyl 3-piperidin-1-ylpentanoate?
The InChIKey is LYYCDBVFTZKIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-10(9-11(13)14-2)12-7-5-4-6-8-12/h10H,3-9H2,1-2H3.
What are the key properties of methyl 3-piperidin-1-ylpentanoate?
methyl 3-piperidin-1-ylpentanoate has a molecular weight of 199.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-piperidin-1-ylpentanoate is sourced from PubChem (CID 14178339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).