8-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C21H38N4O2 — CID 70706305

IUPAC8-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CCN(CCN2CC3(CCN(C4CCCCC4)CC3)OC2=O)CC1
InChIInChI=1S/C21H38N4O2/c1-2-22-12-14-23(15-13-22)16-17-25-18-21(27-20(25)26)8-10-24(11-9-21)19-6-4-3-5-7-19/h19H,2-18H2,1H3
InChIKeyPCPLTTHNTSGMBP-UHFFFAOYSA-N
MW378.56 g/mol
LogP2.24
Rot. Bonds5

About 8-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70706305) has the molecular formula C21H38N4O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 8-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70706305
Molecular FormulaC21H38N4O2
Molecular Weight378.56 g/mol
Exact Mass378.30
IUPAC Name8-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CCN(CCN2CC3(CCN(C4CCCCC4)CC3)OC2=O)CC1
InChIInChI=1S/C21H38N4O2/c1-2-22-12-14-23(15-13-22)16-17-25-18-21(27-20(25)26)8-10-24(11-9-21)19-6-4-3-5-7-19/h19H,2-18H2,1H3
InChIKeyPCPLTTHNTSGMBP-UHFFFAOYSA-N
XLogP2.24
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70706305) is 8-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CCN(CCN2CC3(CCN(C4CCCCC4)CC3)OC2=O)CC1.
What is the InChIKey of 8-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PCPLTTHNTSGMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O2/c1-2-22-12-14-23(15-13-22)16-17-25-18-21(27-20(25)26)8-10-24(11-9-21)19-6-4-3-5-7-19/h19H,2-18H2,1H3.
What are the key properties of 8-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 378.56 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70706305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).