[5-chloro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl] N-propylcarbamate

C23H33ClN4O4 — CID 90747652

IUPAC[5-chloro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl] N-propylcarbamate
SMILESCCCNC(=O)Oc1cnc(N2CCC3(CC2)CCN(C2CCC(O)CC2)C3=O)c(Cl)c1
InChIInChI=1S/C23H33ClN4O4/c1-2-10-25-22(31)32-18-14-19(24)20(26-15-18)27-11-7-23(8-12-27)9-13-28(21(23)30)16-3-5-17(29)6-4-16/h14-17,29H,2-13H2,1H3,(H,25,31)
InChIKeyQNBWBFFKYUNCOZ-UHFFFAOYSA-N
MW464.99 g/mol
LogP3.36
Rot. Bonds5

About [5-chloro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl] N-propylcarbamate

[5-chloro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl] N-propylcarbamate (PubChem CID 90747652) has the molecular formula C23H33ClN4O4 and a molecular weight of 464.99 g/mol. Its IUPAC name is [5-chloro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl] N-propylcarbamate.

Molecular Properties

Compound Name[5-chloro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl] N-propylcarbamate
PubChem CID90747652
Molecular FormulaC23H33ClN4O4
Molecular Weight464.99 g/mol
Exact Mass464.22
IUPAC Name[5-chloro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl] N-propylcarbamate
SMILESCCCNC(=O)Oc1cnc(N2CCC3(CC2)CCN(C2CCC(O)CC2)C3=O)c(Cl)c1
InChIInChI=1S/C23H33ClN4O4/c1-2-10-25-22(31)32-18-14-19(24)20(26-15-18)27-11-7-23(8-12-27)9-13-28(21(23)30)16-3-5-17(29)6-4-16/h14-17,29H,2-13H2,1H3,(H,25,31)
InChIKeyQNBWBFFKYUNCOZ-UHFFFAOYSA-N
XLogP3.36
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.99
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl] N-propylcarbamate?
The IUPAC name of [5-chloro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl] N-propylcarbamate (CID 90747652) is [5-chloro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl] N-propylcarbamate.
What is the SMILES notation for [5-chloro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl] N-propylcarbamate?
The canonical SMILES for [5-chloro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl] N-propylcarbamate is CCCNC(=O)Oc1cnc(N2CCC3(CC2)CCN(C2CCC(O)CC2)C3=O)c(Cl)c1.
What is the InChIKey of [5-chloro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl] N-propylcarbamate?
The InChIKey is QNBWBFFKYUNCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33ClN4O4/c1-2-10-25-22(31)32-18-14-19(24)20(26-15-18)27-11-7-23(8-12-27)9-13-28(21(23)30)16-3-5-17(29)6-4-16/h14-17,29H,2-13H2,1H3,(H,25,31).
What are the key properties of [5-chloro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl] N-propylcarbamate?
[5-chloro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl] N-propylcarbamate has a molecular weight of 464.99 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl] N-propylcarbamate is sourced from PubChem (CID 90747652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).