2-(pyridin-3-ylmethyl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C19H21N3O2S — CID 98895883

IUPAC2-(pyridin-3-ylmethyl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3cccs3)CC2)CN1Cc1cccnc1
InChIInChI=1S/C19H21N3O2S/c23-17-11-19(14-22(17)13-15-3-1-7-20-12-15)5-8-21(9-6-19)18(24)16-4-2-10-25-16/h1-4,7,10,12H,5-6,8-9,11,13-14H2
InChIKeyQWCUVBZRAIOJBU-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.80
Rot. Bonds3

About 2-(pyridin-3-ylmethyl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

2-(pyridin-3-ylmethyl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 98895883) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethyl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(pyridin-3-ylmethyl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID98895883
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-(pyridin-3-ylmethyl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3cccs3)CC2)CN1Cc1cccnc1
InChIInChI=1S/C19H21N3O2S/c23-17-11-19(14-22(17)13-15-3-1-7-20-12-15)5-8-21(9-6-19)18(24)16-4-2-10-25-16/h1-4,7,10,12H,5-6,8-9,11,13-14H2
InChIKeyQWCUVBZRAIOJBU-UHFFFAOYSA-N
XLogP2.80
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(pyridine-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98895861
8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131680168
8-(1-methylpyrazole-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896945
[4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-thiophen-2-ylmethanone
CID 97372226
8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896665
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72940901
2-pyridin-3-yl-1-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155833316
2-benzyl-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72853673
9-(4-methylpiperazine-1-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72937261
[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 136519932
2-(pyridin-4-ylmethyl)-8-[(E)-3-thiophen-2-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 131696776
N-(pyridin-3-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 84528908

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethyl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(pyridin-3-ylmethyl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 98895883) is 2-(pyridin-3-ylmethyl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(pyridin-3-ylmethyl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(pyridin-3-ylmethyl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(C(=O)c3cccs3)CC2)CN1Cc1cccnc1.
What is the InChIKey of 2-(pyridin-3-ylmethyl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is QWCUVBZRAIOJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-17-11-19(14-22(17)13-15-3-1-7-20-12-15)5-8-21(9-6-19)18(24)16-4-2-10-25-16/h1-4,7,10,12H,5-6,8-9,11,13-14H2.
What are the key properties of 2-(pyridin-3-ylmethyl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
2-(pyridin-3-ylmethyl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 355.46 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethyl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 98895883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).