ethyl 2-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]acetate

C19H29N3O3 — CID 23723929

IUPACethyl 2-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCC(N(C)CCc2ccccc2)C1
InChIInChI=1S/C19H29N3O3/c1-3-25-18(23)14-20-19(24)22-12-7-10-17(15-22)21(2)13-11-16-8-5-4-6-9-16/h4-6,8-9,17H,3,7,10-15H2,1-2H3,(H,20,24)
InChIKeyIVEUTSAGFYUXJB-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.90
Rot. Bonds7

About ethyl 2-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]acetate

ethyl 2-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]acetate (PubChem CID 23723929) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is ethyl 2-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]acetate
PubChem CID23723929
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nameethyl 2-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCC(N(C)CCc2ccccc2)C1
InChIInChI=1S/C19H29N3O3/c1-3-25-18(23)14-20-19(24)22-12-7-10-17(15-22)21(2)13-11-16-8-5-4-6-9-16/h4-6,8-9,17H,3,7,10-15H2,1-2H3,(H,20,24)
InChIKeyIVEUTSAGFYUXJB-UHFFFAOYSA-N
XLogP1.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]acetate (CID 23723929) is ethyl 2-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCCC(N(C)CCc2ccccc2)C1.
What is the InChIKey of ethyl 2-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]acetate?
The InChIKey is IVEUTSAGFYUXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-25-18(23)14-20-19(24)22-12-7-10-17(15-22)21(2)13-11-16-8-5-4-6-9-16/h4-6,8-9,17H,3,7,10-15H2,1-2H3,(H,20,24).
What are the key properties of ethyl 2-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]acetate?
ethyl 2-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]acetate has a molecular weight of 347.46 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 23723929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).