ethyl N-[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]carbamate

C23H34N4O5 — CID 76677750

IUPACethyl N-[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1cnc(N2CCCC3(CCN(C4CCC(O)CC4)C3=O)C2)c(OC)c1
InChIInChI=1S/C23H34N4O5/c1-3-32-22(30)25-16-13-19(31-2)20(24-14-16)26-11-4-9-23(15-26)10-12-27(21(23)29)17-5-7-18(28)8-6-17/h13-14,17-18,28H,3-12,15H2,1-2H3,(H,25,30)
InChIKeyAUEUKOFLSZQXMF-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.78
Rot. Bonds5

About ethyl N-[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]carbamate

ethyl N-[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]carbamate (PubChem CID 76677750) has the molecular formula C23H34N4O5 and a molecular weight of 446.55 g/mol. Its IUPAC name is ethyl N-[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]carbamate
PubChem CID76677750
Molecular FormulaC23H34N4O5
Molecular Weight446.55 g/mol
Exact Mass446.25
IUPAC Nameethyl N-[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1cnc(N2CCCC3(CCN(C4CCC(O)CC4)C3=O)C2)c(OC)c1
InChIInChI=1S/C23H34N4O5/c1-3-32-22(30)25-16-13-19(31-2)20(24-14-16)26-11-4-9-23(15-26)10-12-27(21(23)29)17-5-7-18(28)8-6-17/h13-14,17-18,28H,3-12,15H2,1-2H3,(H,25,30)
InChIKeyAUEUKOFLSZQXMF-UHFFFAOYSA-N
XLogP2.78
TPSA104.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]carbamate (CID 76677750) is ethyl N-[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]carbamate is CCOC(=O)Nc1cnc(N2CCCC3(CCN(C4CCC(O)CC4)C3=O)C2)c(OC)c1.
What is the InChIKey of ethyl N-[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]carbamate?
The InChIKey is AUEUKOFLSZQXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O5/c1-3-32-22(30)25-16-13-19(31-2)20(24-14-16)26-11-4-9-23(15-26)10-12-27(21(23)29)17-5-7-18(28)8-6-17/h13-14,17-18,28H,3-12,15H2,1-2H3,(H,25,30).
What are the key properties of ethyl N-[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]carbamate?
ethyl N-[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]carbamate has a molecular weight of 446.55 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]carbamate is sourced from PubChem (CID 76677750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).