ethyl 4-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]piperidine-1-carboxylate

C20H35N3O4 — CID 97151873

IUPACethyl 4-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC[C@]3(CCC(=O)N(CCOC)C3)C2)CC1
InChIInChI=1S/C20H35N3O4/c1-3-27-19(25)21-11-6-17(7-12-21)22-10-4-8-20(15-22)9-5-18(24)23(16-20)13-14-26-2/h17H,3-16H2,1-2H3/t20-/m0/s1
InChIKeyIBYFWBCLHOVIPV-FQEVSTJZSA-N
MW381.52 g/mol
LogP1.96
Rot. Bonds5

About ethyl 4-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]piperidine-1-carboxylate

ethyl 4-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]piperidine-1-carboxylate (PubChem CID 97151873) has the molecular formula C20H35N3O4 and a molecular weight of 381.52 g/mol. Its IUPAC name is ethyl 4-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]piperidine-1-carboxylate
PubChem CID97151873
Molecular FormulaC20H35N3O4
Molecular Weight381.52 g/mol
Exact Mass381.26
IUPAC Nameethyl 4-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC[C@]3(CCC(=O)N(CCOC)C3)C2)CC1
InChIInChI=1S/C20H35N3O4/c1-3-27-19(25)21-11-6-17(7-12-21)22-10-4-8-20(15-22)9-5-18(24)23(16-20)13-14-26-2/h17H,3-16H2,1-2H3/t20-/m0/s1
InChIKeyIBYFWBCLHOVIPV-FQEVSTJZSA-N
XLogP1.96
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]piperidine-1-carboxylate (CID 97151873) is ethyl 4-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC[C@]3(CCC(=O)N(CCOC)C3)C2)CC1.
What is the InChIKey of ethyl 4-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]piperidine-1-carboxylate?
The InChIKey is IBYFWBCLHOVIPV-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H35N3O4/c1-3-27-19(25)21-11-6-17(7-12-21)22-10-4-8-20(15-22)9-5-18(24)23(16-20)13-14-26-2/h17H,3-16H2,1-2H3/t20-/m0/s1.
What are the key properties of ethyl 4-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]piperidine-1-carboxylate?
ethyl 4-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]piperidine-1-carboxylate has a molecular weight of 381.52 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]piperidine-1-carboxylate is sourced from PubChem (CID 97151873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).