methyl 3-[[1-(3-aminophenyl)piperidine-4-carbonyl]amino]propanoate

C16H23N3O3 — CID 142170407

IUPACmethyl 3-[[1-(3-aminophenyl)piperidine-4-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)C1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C16H23N3O3/c1-22-15(20)5-8-18-16(21)12-6-9-19(10-7-12)14-4-2-3-13(17)11-14/h2-4,11-12H,5-10,17H2,1H3,(H,18,21)
InChIKeyGEDWAFNVOKEZOL-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.16
Rot. Bonds5

About methyl 3-[[1-(3-aminophenyl)piperidine-4-carbonyl]amino]propanoate

methyl 3-[[1-(3-aminophenyl)piperidine-4-carbonyl]amino]propanoate (PubChem CID 142170407) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl 3-[[1-(3-aminophenyl)piperidine-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(3-aminophenyl)piperidine-4-carbonyl]amino]propanoate
PubChem CID142170407
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Namemethyl 3-[[1-(3-aminophenyl)piperidine-4-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)C1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C16H23N3O3/c1-22-15(20)5-8-18-16(21)12-6-9-19(10-7-12)14-4-2-3-13(17)11-14/h2-4,11-12H,5-10,17H2,1H3,(H,18,21)
InChIKeyGEDWAFNVOKEZOL-UHFFFAOYSA-N
XLogP1.16
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(3-aminophenyl)piperidine-4-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[1-(3-aminophenyl)piperidine-4-carbonyl]amino]propanoate (CID 142170407) is methyl 3-[[1-(3-aminophenyl)piperidine-4-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[1-(3-aminophenyl)piperidine-4-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[1-(3-aminophenyl)piperidine-4-carbonyl]amino]propanoate is COC(=O)CCNC(=O)C1CCN(c2cccc(N)c2)CC1.
What is the InChIKey of methyl 3-[[1-(3-aminophenyl)piperidine-4-carbonyl]amino]propanoate?
The InChIKey is GEDWAFNVOKEZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-22-15(20)5-8-18-16(21)12-6-9-19(10-7-12)14-4-2-3-13(17)11-14/h2-4,11-12H,5-10,17H2,1H3,(H,18,21).
What are the key properties of methyl 3-[[1-(3-aminophenyl)piperidine-4-carbonyl]amino]propanoate?
methyl 3-[[1-(3-aminophenyl)piperidine-4-carbonyl]amino]propanoate has a molecular weight of 305.38 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(3-aminophenyl)piperidine-4-carbonyl]amino]propanoate is sourced from PubChem (CID 142170407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).