methyl 4-[1-(2-amino-2-oxo-1-phenylethyl)piperidin-4-yl]butanoate

C18H26N2O3 — CID 175254231

IUPACmethyl 4-[1-(2-amino-2-oxo-1-phenylethyl)piperidin-4-yl]butanoate
SMILESCOC(=O)CCCC1CCN(C(C(N)=O)c2ccccc2)CC1
InChIInChI=1S/C18H26N2O3/c1-23-16(21)9-5-6-14-10-12-20(13-11-14)17(18(19)22)15-7-3-2-4-8-15/h2-4,7-8,14,17H,5-6,9-13H2,1H3,(H2,19,22)
InChIKeyCQZOSMVNVOMZLI-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.27
Rot. Bonds7

About methyl 4-[1-(2-amino-2-oxo-1-phenylethyl)piperidin-4-yl]butanoate

methyl 4-[1-(2-amino-2-oxo-1-phenylethyl)piperidin-4-yl]butanoate (PubChem CID 175254231) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is methyl 4-[1-(2-amino-2-oxo-1-phenylethyl)piperidin-4-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[1-(2-amino-2-oxo-1-phenylethyl)piperidin-4-yl]butanoate
PubChem CID175254231
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namemethyl 4-[1-(2-amino-2-oxo-1-phenylethyl)piperidin-4-yl]butanoate
SMILESCOC(=O)CCCC1CCN(C(C(N)=O)c2ccccc2)CC1
InChIInChI=1S/C18H26N2O3/c1-23-16(21)9-5-6-14-10-12-20(13-11-14)17(18(19)22)15-7-3-2-4-8-15/h2-4,7-8,14,17H,5-6,9-13H2,1H3,(H2,19,22)
InChIKeyCQZOSMVNVOMZLI-UHFFFAOYSA-N
XLogP2.27
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[1-(2-amino-2-oxo-1-phenylethyl)piperidin-4-yl]butanoate with MolForge

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Launch Full Analysis

Related Compounds

1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 33401914
methyl 4-(1-acetylpiperidin-4-yl)butanoate
CID 59786126
(2R)-2-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 129489061
N-(3-cyclopentylpropyl)-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 56510051
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 86915510
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871
trimethyl 2-[(1-benzhydrylpiperidin-4-yl)methyl]propane-1,1,3-tricarboxylate
CID 156533867
2-[4-(aminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenyl)acetamide
CID 68551003
methyl 5,5-diphenylpentanoate
CID 10923549
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908
ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
CID 106677310

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(2-amino-2-oxo-1-phenylethyl)piperidin-4-yl]butanoate?
The IUPAC name of methyl 4-[1-(2-amino-2-oxo-1-phenylethyl)piperidin-4-yl]butanoate (CID 175254231) is methyl 4-[1-(2-amino-2-oxo-1-phenylethyl)piperidin-4-yl]butanoate.
What is the SMILES notation for methyl 4-[1-(2-amino-2-oxo-1-phenylethyl)piperidin-4-yl]butanoate?
The canonical SMILES for methyl 4-[1-(2-amino-2-oxo-1-phenylethyl)piperidin-4-yl]butanoate is COC(=O)CCCC1CCN(C(C(N)=O)c2ccccc2)CC1.
What is the InChIKey of methyl 4-[1-(2-amino-2-oxo-1-phenylethyl)piperidin-4-yl]butanoate?
The InChIKey is CQZOSMVNVOMZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-23-16(21)9-5-6-14-10-12-20(13-11-14)17(18(19)22)15-7-3-2-4-8-15/h2-4,7-8,14,17H,5-6,9-13H2,1H3,(H2,19,22).
What are the key properties of methyl 4-[1-(2-amino-2-oxo-1-phenylethyl)piperidin-4-yl]butanoate?
methyl 4-[1-(2-amino-2-oxo-1-phenylethyl)piperidin-4-yl]butanoate has a molecular weight of 318.42 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(2-amino-2-oxo-1-phenylethyl)piperidin-4-yl]butanoate is sourced from PubChem (CID 175254231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).