tert-butyl 2-[[1-(ethylcarbamoyl)piperidin-4-yl]amino]acetate

C14H27N3O3 — CID 75525019

IUPACtert-butyl 2-[[1-(ethylcarbamoyl)piperidin-4-yl]amino]acetate
SMILESCCNC(=O)N1CCC(NCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-5-15-13(19)17-8-6-11(7-9-17)16-10-12(18)20-14(2,3)4/h11,16H,5-10H2,1-4H3,(H,15,19)
InChIKeyJJDOCBFQJUSZCI-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.11
Rot. Bonds4

About tert-butyl 2-[[1-(ethylcarbamoyl)piperidin-4-yl]amino]acetate

tert-butyl 2-[[1-(ethylcarbamoyl)piperidin-4-yl]amino]acetate (PubChem CID 75525019) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl 2-[[1-(ethylcarbamoyl)piperidin-4-yl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[1-(ethylcarbamoyl)piperidin-4-yl]amino]acetate
PubChem CID75525019
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nametert-butyl 2-[[1-(ethylcarbamoyl)piperidin-4-yl]amino]acetate
SMILESCCNC(=O)N1CCC(NCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-5-15-13(19)17-8-6-11(7-9-17)16-10-12(18)20-14(2,3)4/h11,16H,5-10H2,1-4H3,(H,15,19)
InChIKeyJJDOCBFQJUSZCI-UHFFFAOYSA-N
XLogP1.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[1-(ethylcarbamoyl)piperidin-4-yl]amino]acetate?
The IUPAC name of tert-butyl 2-[[1-(ethylcarbamoyl)piperidin-4-yl]amino]acetate (CID 75525019) is tert-butyl 2-[[1-(ethylcarbamoyl)piperidin-4-yl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[1-(ethylcarbamoyl)piperidin-4-yl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[1-(ethylcarbamoyl)piperidin-4-yl]amino]acetate is CCNC(=O)N1CCC(NCC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 2-[[1-(ethylcarbamoyl)piperidin-4-yl]amino]acetate?
The InChIKey is JJDOCBFQJUSZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-15-13(19)17-8-6-11(7-9-17)16-10-12(18)20-14(2,3)4/h11,16H,5-10H2,1-4H3,(H,15,19).
What are the key properties of tert-butyl 2-[[1-(ethylcarbamoyl)piperidin-4-yl]amino]acetate?
tert-butyl 2-[[1-(ethylcarbamoyl)piperidin-4-yl]amino]acetate has a molecular weight of 285.39 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[1-(ethylcarbamoyl)piperidin-4-yl]amino]acetate is sourced from PubChem (CID 75525019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).