methyl 4-(1-acetylpiperidin-4-yl)butanoate

C12H21NO3 — CID 59786126

IUPACmethyl 4-(1-acetylpiperidin-4-yl)butanoate
SMILESCOC(=O)CCCC1CCN(C(C)=O)CC1
InChIInChI=1S/C12H21NO3/c1-10(14)13-8-6-11(7-9-13)4-3-5-12(15)16-2/h11H,3-9H2,1-2H3
InChIKeyRIYXHBJKFOPGHA-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.59
Rot. Bonds4

About methyl 4-(1-acetylpiperidin-4-yl)butanoate

methyl 4-(1-acetylpiperidin-4-yl)butanoate (PubChem CID 59786126) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 4-(1-acetylpiperidin-4-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(1-acetylpiperidin-4-yl)butanoate
PubChem CID59786126
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 4-(1-acetylpiperidin-4-yl)butanoate
SMILESCOC(=O)CCCC1CCN(C(C)=O)CC1
InChIInChI=1S/C12H21NO3/c1-10(14)13-8-6-11(7-9-13)4-3-5-12(15)16-2/h11H,3-9H2,1-2H3
InChIKeyRIYXHBJKFOPGHA-UHFFFAOYSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[3-(methylamino)propyl]piperidin-1-yl]ethanone
CID 166684108
methyl 5-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]-5-oxopentanoate
CID 25450495
1-(4-heptylpiperidin-1-yl)ethanone
CID 155216374
methyl 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate
CID 43404532
methyl 8-[4-(2-methoxy-2-oxoethyl)cyclohexyl]octanoate
CID 4068552
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
iodo 2-(1-acetylpiperidin-4-yl)acetate
CID 170699627
methyl 4-(3-cyclopentylpropylamino)butanoate
CID 106004262
methyl 4-[1-(2-amino-2-oxo-1-phenylethyl)piperidin-4-yl]butanoate
CID 175254231
2-(1-acetylpiperidin-4-yl)ethylcarbamic acid
CID 118540720
methyl 4-[1-[4-(1,3-dioxo-3a,7a-dihydroisoindol-2-yl)butyl]piperidin-4-yl]butanoate
CID 66811219
ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
CID 166152008

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-acetylpiperidin-4-yl)butanoate?
The IUPAC name of methyl 4-(1-acetylpiperidin-4-yl)butanoate (CID 59786126) is methyl 4-(1-acetylpiperidin-4-yl)butanoate.
What is the SMILES notation for methyl 4-(1-acetylpiperidin-4-yl)butanoate?
The canonical SMILES for methyl 4-(1-acetylpiperidin-4-yl)butanoate is COC(=O)CCCC1CCN(C(C)=O)CC1.
What is the InChIKey of methyl 4-(1-acetylpiperidin-4-yl)butanoate?
The InChIKey is RIYXHBJKFOPGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-10(14)13-8-6-11(7-9-13)4-3-5-12(15)16-2/h11H,3-9H2,1-2H3.
What are the key properties of methyl 4-(1-acetylpiperidin-4-yl)butanoate?
methyl 4-(1-acetylpiperidin-4-yl)butanoate has a molecular weight of 227.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-acetylpiperidin-4-yl)butanoate is sourced from PubChem (CID 59786126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).