[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl] N-ethylcarbamate

C23H34N4O4 — CID 91017405

IUPAC[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1cnc(N2CCCC3(CCN(C4CCC(O)CC4)C3=O)C2)cc1C
InChIInChI=1S/C23H34N4O4/c1-3-24-22(30)31-19-14-25-20(13-16(19)2)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,24,30)
InChIKeyWPMIDJZJFJZKCW-UHFFFAOYSA-N
MW430.55 g/mol
LogP2.62
Rot. Bonds4

About [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl] N-ethylcarbamate

[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl] N-ethylcarbamate (PubChem CID 91017405) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl] N-ethylcarbamate.

Molecular Properties

Compound Name[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl] N-ethylcarbamate
PubChem CID91017405
Molecular FormulaC23H34N4O4
Molecular Weight430.55 g/mol
Exact Mass430.26
IUPAC Name[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1cnc(N2CCCC3(CCN(C4CCC(O)CC4)C3=O)C2)cc1C
InChIInChI=1S/C23H34N4O4/c1-3-24-22(30)31-19-14-25-20(13-16(19)2)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,24,30)
InChIKeyWPMIDJZJFJZKCW-UHFFFAOYSA-N
XLogP2.62
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl] N-ethylcarbamate?
The IUPAC name of [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl] N-ethylcarbamate (CID 91017405) is [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl] N-ethylcarbamate.
What is the SMILES notation for [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl] N-ethylcarbamate?
The canonical SMILES for [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl] N-ethylcarbamate is CCNC(=O)Oc1cnc(N2CCCC3(CCN(C4CCC(O)CC4)C3=O)C2)cc1C.
What is the InChIKey of [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl] N-ethylcarbamate?
The InChIKey is WPMIDJZJFJZKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-3-24-22(30)31-19-14-25-20(13-16(19)2)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,24,30).
What are the key properties of [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl] N-ethylcarbamate?
[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl] N-ethylcarbamate has a molecular weight of 430.55 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl] N-ethylcarbamate is sourced from PubChem (CID 91017405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).