8-[1-(2-piperidin-2-ylethyl)triazole-4-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C17H26N6O3 — CID 70735483

IUPAC8-[1-(2-piperidin-2-ylethyl)triazole-4-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(C(=O)c3cn(CCC4CCCCN4)nn3)CC2)O1
InChIInChI=1S/C17H26N6O3/c24-15(22-9-5-17(6-10-22)12-19-16(25)26-17)14-11-23(21-20-14)8-4-13-3-1-2-7-18-13/h11,13,18H,1-10,12H2,(H,19,25)
InChIKeyBXZMSELNDHKLMS-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.52
Rot. Bonds4

About 8-[1-(2-piperidin-2-ylethyl)triazole-4-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[1-(2-piperidin-2-ylethyl)triazole-4-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70735483) has the molecular formula C17H26N6O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 8-[1-(2-piperidin-2-ylethyl)triazole-4-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[1-(2-piperidin-2-ylethyl)triazole-4-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70735483
Molecular FormulaC17H26N6O3
Molecular Weight362.43 g/mol
Exact Mass362.21
IUPAC Name8-[1-(2-piperidin-2-ylethyl)triazole-4-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(C(=O)c3cn(CCC4CCCCN4)nn3)CC2)O1
InChIInChI=1S/C17H26N6O3/c24-15(22-9-5-17(6-10-22)12-19-16(25)26-17)14-11-23(21-20-14)8-4-13-3-1-2-7-18-13/h11,13,18H,1-10,12H2,(H,19,25)
InChIKeyBXZMSELNDHKLMS-UHFFFAOYSA-N
XLogP0.52
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(2-piperidin-2-ylethyl)triazole-4-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[1-(2-piperidin-2-ylethyl)triazole-4-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70735483) is 8-[1-(2-piperidin-2-ylethyl)triazole-4-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[1-(2-piperidin-2-ylethyl)triazole-4-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[1-(2-piperidin-2-ylethyl)triazole-4-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(C(=O)c3cn(CCC4CCCCN4)nn3)CC2)O1.
What is the InChIKey of 8-[1-(2-piperidin-2-ylethyl)triazole-4-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is BXZMSELNDHKLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O3/c24-15(22-9-5-17(6-10-22)12-19-16(25)26-17)14-11-23(21-20-14)8-4-13-3-1-2-7-18-13/h11,13,18H,1-10,12H2,(H,19,25).
What are the key properties of 8-[1-(2-piperidin-2-ylethyl)triazole-4-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[1-(2-piperidin-2-ylethyl)triazole-4-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 362.43 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2-piperidin-2-ylethyl)triazole-4-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70735483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).