ethyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate

C18H28N4O5 — CID 83273608

IUPACethyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C18H28N4O5/c1-2-27-17(26)21-10-6-13(7-11-21)19-14(23)12-22-15(24)18(20-16(22)25)8-4-3-5-9-18/h13H,2-12H2,1H3,(H,19,23)(H,20,25)
InChIKeyJBFQSCDRFDKCIF-UHFFFAOYSA-N
MW380.45 g/mol
LogP0.98
Rot. Bonds4

About ethyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 83273608) has the molecular formula C18H28N4O5 and a molecular weight of 380.45 g/mol. Its IUPAC name is ethyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate
PubChem CID83273608
Molecular FormulaC18H28N4O5
Molecular Weight380.45 g/mol
Exact Mass380.21
IUPAC Nameethyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C18H28N4O5/c1-2-27-17(26)21-10-6-13(7-11-21)19-14(23)12-22-15(24)18(20-16(22)25)8-4-3-5-9-18/h13H,2-12H2,1H3,(H,19,23)(H,20,25)
InChIKeyJBFQSCDRFDKCIF-UHFFFAOYSA-N
XLogP0.98
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate (CID 83273608) is ethyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1.
What is the InChIKey of ethyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is JBFQSCDRFDKCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O5/c1-2-27-17(26)21-10-6-13(7-11-21)19-14(23)12-22-15(24)18(20-16(22)25)8-4-3-5-9-18/h13H,2-12H2,1H3,(H,19,23)(H,20,25).
What are the key properties of ethyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 380.45 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 83273608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).