phenyl-[9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone

C20H24N2O2S — CID 97372283

IUPACphenyl-[9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
SMILESO=C(c1ccccc1)N1CCOC2(CCN(Cc3cccs3)CC2)C1
InChIInChI=1S/C20H24N2O2S/c23-19(17-5-2-1-3-6-17)22-12-13-24-20(16-22)8-10-21(11-9-20)15-18-7-4-14-25-18/h1-7,14H,8-13,15-16H2
InChIKeyLJRYRKKXCQCOTK-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.26
Rot. Bonds3

About phenyl-[9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone

phenyl-[9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone (PubChem CID 97372283) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is phenyl-[9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone.

Molecular Properties

Compound Namephenyl-[9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
PubChem CID97372283
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Namephenyl-[9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
SMILESO=C(c1ccccc1)N1CCOC2(CCN(Cc3cccs3)CC2)C1
InChIInChI=1S/C20H24N2O2S/c23-19(17-5-2-1-3-6-17)22-12-13-24-20(16-22)8-10-21(11-9-20)15-18-7-4-14-25-18/h1-7,14H,8-13,15-16H2
InChIKeyLJRYRKKXCQCOTK-UHFFFAOYSA-N
XLogP3.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372231
4-phenyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97372508
[9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone
CID 97450861
2-thiophen-2-yl-1-[4-(thiophen-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]ethanone
CID 131669522
[9-(1-benzothiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone
CID 46238799
(9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(2,6-difluorophenyl)methanone
CID 73212667
(2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 131935308
4-phenyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118744188
(4-methylcyclohexyl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 131690248
[7-(2-methylpropyl)-4-oxa-7,12-diazaspiro[2.10]tridecan-12-yl]-phenylmethanone
CID 129069861
[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-2-yl)methanone
CID 118562197
(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60655593

Frequently Asked Questions

What is the IUPAC name of phenyl-[9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The IUPAC name of phenyl-[9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone (CID 97372283) is phenyl-[9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone.
What is the SMILES notation for phenyl-[9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The canonical SMILES for phenyl-[9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone is O=C(c1ccccc1)N1CCOC2(CCN(Cc3cccs3)CC2)C1.
What is the InChIKey of phenyl-[9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The InChIKey is LJRYRKKXCQCOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c23-19(17-5-2-1-3-6-17)22-12-13-24-20(16-22)8-10-21(11-9-20)15-18-7-4-14-25-18/h1-7,14H,8-13,15-16H2.
What are the key properties of phenyl-[9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
phenyl-[9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone has a molecular weight of 356.49 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone is sourced from PubChem (CID 97372283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).