ethyl 2-[[4-[3-(cyclopropylmethoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]piperidine-1-carbonyl]amino]acetate

C22H35N3O5 — CID 91925499

IUPACethyl 2-[[4-[3-(cyclopropylmethoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC(N2C(=O)C(OCC3CC3)C23CCCCC3)CC1
InChIInChI=1S/C22H35N3O5/c1-2-29-18(26)14-23-21(28)24-12-8-17(9-13-24)25-20(27)19(30-15-16-6-7-16)22(25)10-4-3-5-11-22/h16-17,19H,2-15H2,1H3,(H,23,28)
InChIKeyIILIZCXTWVHPDG-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.06
Rot. Bonds7

About ethyl 2-[[4-[3-(cyclopropylmethoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]piperidine-1-carbonyl]amino]acetate

ethyl 2-[[4-[3-(cyclopropylmethoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]piperidine-1-carbonyl]amino]acetate (PubChem CID 91925499) has the molecular formula C22H35N3O5 and a molecular weight of 421.54 g/mol. Its IUPAC name is ethyl 2-[[4-[3-(cyclopropylmethoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]piperidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-[3-(cyclopropylmethoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]piperidine-1-carbonyl]amino]acetate
PubChem CID91925499
Molecular FormulaC22H35N3O5
Molecular Weight421.54 g/mol
Exact Mass421.26
IUPAC Nameethyl 2-[[4-[3-(cyclopropylmethoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC(N2C(=O)C(OCC3CC3)C23CCCCC3)CC1
InChIInChI=1S/C22H35N3O5/c1-2-29-18(26)14-23-21(28)24-12-8-17(9-13-24)25-20(27)19(30-15-16-6-7-16)22(25)10-4-3-5-11-22/h16-17,19H,2-15H2,1H3,(H,23,28)
InChIKeyIILIZCXTWVHPDG-UHFFFAOYSA-N
XLogP2.06
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[4-[3-(cyclopropylmethoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]piperidine-1-carbonyl]amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[3-(cyclopropylmethoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]piperidine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[4-[3-(cyclopropylmethoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]piperidine-1-carbonyl]amino]acetate (CID 91925499) is ethyl 2-[[4-[3-(cyclopropylmethoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]piperidine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-[3-(cyclopropylmethoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]piperidine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-[3-(cyclopropylmethoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]piperidine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCC(N2C(=O)C(OCC3CC3)C23CCCCC3)CC1.
What is the InChIKey of ethyl 2-[[4-[3-(cyclopropylmethoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]piperidine-1-carbonyl]amino]acetate?
The InChIKey is IILIZCXTWVHPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O5/c1-2-29-18(26)14-23-21(28)24-12-8-17(9-13-24)25-20(27)19(30-15-16-6-7-16)22(25)10-4-3-5-11-22/h16-17,19H,2-15H2,1H3,(H,23,28).
What are the key properties of ethyl 2-[[4-[3-(cyclopropylmethoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]piperidine-1-carbonyl]amino]acetate?
ethyl 2-[[4-[3-(cyclopropylmethoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]piperidine-1-carbonyl]amino]acetate has a molecular weight of 421.54 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[3-(cyclopropylmethoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]piperidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 91925499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).