(2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate

C16H22N2O3 — CID 106592536

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate
SMILESCC(C(=O)OCC(=O)N1CCCCC1)c1cccc(N)c1
InChIInChI=1S/C16H22N2O3/c1-12(13-6-5-7-14(17)10-13)16(20)21-11-15(19)18-8-3-2-4-9-18/h5-7,10,12H,2-4,8-9,11,17H2,1H3
InChIKeyACKQPWRRADFCRM-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.93
Rot. Bonds4

About (2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate

(2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate (PubChem CID 106592536) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate
PubChem CID106592536
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate
SMILESCC(C(=O)OCC(=O)N1CCCCC1)c1cccc(N)c1
InChIInChI=1S/C16H22N2O3/c1-12(13-6-5-7-14(17)10-13)16(20)21-11-15(19)18-8-3-2-4-9-18/h5-7,10,12H,2-4,8-9,11,17H2,1H3
InChIKeyACKQPWRRADFCRM-UHFFFAOYSA-N
XLogP1.93
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-pyrrolidin-1-ylpropyl 2-(3-aminophenyl)propanoate
CID 106592484
2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 30118492
2-(2-hydroxyethoxy)ethyl 2-(3-aminophenyl)propanoate
CID 106592581
(2-oxo-2-pyrrolidin-1-ylethyl) 2-bromo-2-(4-propan-2-ylphenyl)acetate
CID 142162768
[2-(azepan-1-yl)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 23935201
(4-methylmorpholin-2-yl)methyl 2-(3-aminophenyl)propanoate
CID 106592454
2-(3-aminophenyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 107210059
N-(3-aminophenyl)-N-methylazepane-1-carboxamide
CID 79152179
(4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate
CID 106592381
3-[1-(azepan-1-yl)ethyl]aniline
CID 61262195
2-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 61095265
2-(3-aminophenyl)propanoate
CID 71650577

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate (CID 106592536) is (2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate is CC(C(=O)OCC(=O)N1CCCCC1)c1cccc(N)c1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate?
The InChIKey is ACKQPWRRADFCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(13-6-5-7-14(17)10-13)16(20)21-11-15(19)18-8-3-2-4-9-18/h5-7,10,12H,2-4,8-9,11,17H2,1H3.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate?
(2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate has a molecular weight of 290.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate is sourced from PubChem (CID 106592536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).