ethyl 2-[[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]amino]acetate

C17H27N5O3 — CID 46983553

IUPACethyl 2-[[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC(n2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C17H27N5O3/c1-2-25-16(23)11-18-17(24)21-9-7-14(8-10-21)22-12-15(19-20-22)13-5-3-4-6-13/h12-14H,2-11H2,1H3,(H,18,24)
InChIKeySBGLJEASSJQOOV-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.85
Rot. Bonds5

About ethyl 2-[[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]amino]acetate

ethyl 2-[[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]amino]acetate (PubChem CID 46983553) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is ethyl 2-[[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]amino]acetate
PubChem CID46983553
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Nameethyl 2-[[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC(n2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C17H27N5O3/c1-2-25-16(23)11-18-17(24)21-9-7-14(8-10-21)22-12-15(19-20-22)13-5-3-4-6-13/h12-14H,2-11H2,1H3,(H,18,24)
InChIKeySBGLJEASSJQOOV-UHFFFAOYSA-N
XLogP1.85
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]amino]acetate (CID 46983553) is ethyl 2-[[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCC(n2cc(C3CCCC3)nn2)CC1.
What is the InChIKey of ethyl 2-[[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]amino]acetate?
The InChIKey is SBGLJEASSJQOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-2-25-16(23)11-18-17(24)21-9-7-14(8-10-21)22-12-15(19-20-22)13-5-3-4-6-13/h12-14H,2-11H2,1H3,(H,18,24).
What are the key properties of ethyl 2-[[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]amino]acetate?
ethyl 2-[[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]amino]acetate has a molecular weight of 349.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 46983553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).