8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one

C19H20N2O2S — CID 131688555

IUPAC8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccccc1)N1CCC2(CC1)CCN(c1ccsc1)C2=O
InChIInChI=1S/C19H20N2O2S/c22-17(15-4-2-1-3-5-15)20-10-7-19(8-11-20)9-12-21(18(19)23)16-6-13-24-14-16/h1-6,13-14H,7-12H2
InChIKeyIWTJHTRLRPKQQS-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.41
Rot. Bonds2

About 8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one

8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 131688555) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID131688555
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccccc1)N1CCC2(CC1)CCN(c1ccsc1)C2=O
InChIInChI=1S/C19H20N2O2S/c22-17(15-4-2-1-3-5-15)20-10-7-19(8-11-20)9-12-21(18(19)23)16-6-13-24-14-16/h1-6,13-14H,7-12H2
InChIKeyIWTJHTRLRPKQQS-UHFFFAOYSA-N
XLogP3.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(1-methylpyrrole-2-carbonyl)-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449913
7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 118739645
7-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155827489
9-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 118744317
2-(2-methylpyrazol-3-yl)-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 131680313
2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131680090
1-oxo-N-propan-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 118738782
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 110695891
spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 97399955
8-(4-fluorobenzoyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449899
(5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97395746
1-(1-oxo-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carbonyl)cyclopentane-1-carbonitrile
CID 131686150

Frequently Asked Questions

What is the IUPAC name of 8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one (CID 131688555) is 8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one is O=C(c1ccccc1)N1CCC2(CC1)CCN(c1ccsc1)C2=O.
What is the InChIKey of 8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is IWTJHTRLRPKQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-17(15-4-2-1-3-5-15)20-10-7-19(8-11-20)9-12-21(18(19)23)16-6-13-24-14-16/h1-6,13-14H,7-12H2.
What are the key properties of 8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one?
8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 340.45 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131688555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).