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

C20H31N3O3 — CID 23723864

IUPACethyl 3-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)N1CCCC(N(C)CCc2ccccc2)C1
InChIInChI=1S/C20H31N3O3/c1-3-26-19(24)11-13-21-20(25)23-14-7-10-18(16-23)22(2)15-12-17-8-5-4-6-9-17/h4-6,8-9,18H,3,7,10-16H2,1-2H3,(H,21,25)
InChIKeyZOVZXONIXJKKNK-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.29
Rot. Bonds8

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

ethyl 3-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]propanoate (PubChem CID 23723864) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is ethyl 3-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]propanoate
PubChem CID23723864
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Nameethyl 3-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)N1CCCC(N(C)CCc2ccccc2)C1
InChIInChI=1S/C20H31N3O3/c1-3-26-19(24)11-13-21-20(25)23-14-7-10-18(16-23)22(2)15-12-17-8-5-4-6-9-17/h4-6,8-9,18H,3,7,10-16H2,1-2H3,(H,21,25)
InChIKeyZOVZXONIXJKKNK-UHFFFAOYSA-N
XLogP2.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]propanoate?
The IUPAC name of ethyl 3-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]propanoate (CID 23723864) is ethyl 3-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]propanoate is CCOC(=O)CCNC(=O)N1CCCC(N(C)CCc2ccccc2)C1.
What is the InChIKey of ethyl 3-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]propanoate?
The InChIKey is ZOVZXONIXJKKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-3-26-19(24)11-13-21-20(25)23-14-7-10-18(16-23)22(2)15-12-17-8-5-4-6-9-17/h4-6,8-9,18H,3,7,10-16H2,1-2H3,(H,21,25).
What are the key properties of ethyl 3-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]propanoate?
ethyl 3-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]propanoate has a molecular weight of 361.49 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]propanoate is sourced from PubChem (CID 23723864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).