methyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate

C13H23NO3 — CID 79538399

IUPACmethyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate
SMILESCOC(=O)CCCN1CCCCC1CC(C)=O
InChIInChI=1S/C13H23NO3/c1-11(15)10-12-6-3-4-8-14(12)9-5-7-13(16)17-2/h12H,3-10H2,1-2H3
InChIKeyQWWMIGDXFSMYOD-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.77
Rot. Bonds6

About methyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate

methyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate (PubChem CID 79538399) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate
PubChem CID79538399
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate
SMILESCOC(=O)CCCN1CCCCC1CC(C)=O
InChIInChI=1S/C13H23NO3/c1-11(15)10-12-6-3-4-8-14(12)9-5-7-13(16)17-2/h12H,3-10H2,1-2H3
InChIKeyQWWMIGDXFSMYOD-UHFFFAOYSA-N
XLogP1.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-[2-(2-oxopropyl)azepan-1-yl]hexanoate
CID 79540569
methyl 4-(2-ethylpyrrolidin-1-yl)butanoate
CID 60973990
1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one
CID 103409848
1-(1-octylpiperidin-2-yl)propan-2-one
CID 79537819
methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate
CID 51697486
1-[1-(2-fluoroethyl)piperidin-2-yl]propan-2-one
CID 80695193
1-[1-[3-(dimethylamino)propyl]azepan-2-yl]propan-2-one
CID 114525397
methyl 2-[1-(4-cyanobutyl)piperidin-2-yl]acetate
CID 62028480
N-cyclopropyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanamide
CID 79536206
1-[1-[2-(2-methoxyethoxy)ethyl]azepan-2-yl]propan-2-one
CID 79560356
N-ethyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanamide
CID 79539534
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]propan-2-one
CID 79537541

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate?
The IUPAC name of methyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate (CID 79538399) is methyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate.
What is the SMILES notation for methyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate?
The canonical SMILES for methyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate is COC(=O)CCCN1CCCCC1CC(C)=O.
What is the InChIKey of methyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate?
The InChIKey is QWWMIGDXFSMYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-11(15)10-12-6-3-4-8-14(12)9-5-7-13(16)17-2/h12H,3-10H2,1-2H3.
What are the key properties of methyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate?
methyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate has a molecular weight of 241.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate is sourced from PubChem (CID 79538399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).