8-butanoyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H36N4O3 — CID 70705985

IUPAC8-butanoyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(=O)N1CCC2(CC1)CN(CCN1CCN(C(C)C)CC1)C(=O)O2
InChIInChI=1S/C20H36N4O3/c1-4-5-18(25)23-8-6-20(7-9-23)16-24(19(26)27-20)15-12-21-10-13-22(14-11-21)17(2)3/h17H,4-16H2,1-3H3
InChIKeyLDGJQWLUQAQKOP-UHFFFAOYSA-N
MW380.53 g/mol
LogP1.63
Rot. Bonds6

About 8-butanoyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-butanoyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70705985) has the molecular formula C20H36N4O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is 8-butanoyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-butanoyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70705985
Molecular FormulaC20H36N4O3
Molecular Weight380.53 g/mol
Exact Mass380.28
IUPAC Name8-butanoyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(=O)N1CCC2(CC1)CN(CCN1CCN(C(C)C)CC1)C(=O)O2
InChIInChI=1S/C20H36N4O3/c1-4-5-18(25)23-8-6-20(7-9-23)16-24(19(26)27-20)15-12-21-10-13-22(14-11-21)17(2)3/h17H,4-16H2,1-3H3
InChIKeyLDGJQWLUQAQKOP-UHFFFAOYSA-N
XLogP1.63
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-butanoyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-butanoyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70705985) is 8-butanoyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-butanoyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-butanoyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCC(=O)N1CCC2(CC1)CN(CCN1CCN(C(C)C)CC1)C(=O)O2.
What is the InChIKey of 8-butanoyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LDGJQWLUQAQKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O3/c1-4-5-18(25)23-8-6-20(7-9-23)16-24(19(26)27-20)15-12-21-10-13-22(14-11-21)17(2)3/h17H,4-16H2,1-3H3.
What are the key properties of 8-butanoyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-butanoyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 380.53 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butanoyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70705985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).