(2R)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one

C18H23N5O2 — CID 95402920

IUPAC(2R)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
SMILESO=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCC2(CCCO2)CC1
InChIInChI=1S/C18H23N5O2/c24-17(22-10-8-18(9-11-22)7-4-12-25-18)16(23-14-19-20-21-23)13-15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13H2/t16-/m1/s1
InChIKeyPXORGQYGPNNIRP-MRXNPFEDSA-N
MW341.41 g/mol
LogP1.63
Rot. Bonds4

About (2R)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one

(2R)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one (PubChem CID 95402920) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2R)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
PubChem CID95402920
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name(2R)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
SMILESO=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCC2(CCCO2)CC1
InChIInChI=1S/C18H23N5O2/c24-17(22-10-8-18(9-11-22)7-4-12-25-18)16(23-14-19-20-21-23)13-15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13H2/t16-/m1/s1
InChIKeyPXORGQYGPNNIRP-MRXNPFEDSA-N
XLogP1.63
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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(2R)-3-phenyl-1-(4-propylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one
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(2R)-1-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
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1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one?
The IUPAC name of (2R)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one (CID 95402920) is (2R)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for (2R)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for (2R)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one is O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCC2(CCCO2)CC1.
What is the InChIKey of (2R)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one?
The InChIKey is PXORGQYGPNNIRP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-17(22-10-8-18(9-11-22)7-4-12-25-18)16(23-14-19-20-21-23)13-15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13H2/t16-/m1/s1.
What are the key properties of (2R)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one?
(2R)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one has a molecular weight of 341.41 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 95402920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).