1-ethyl-1'-(thiophene-2-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one

C18H20N4O2S — CID 16675374

IUPAC1-ethyl-1'-(thiophene-2-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
SMILESCCN1c2ncccc2C(=O)NC12CCN(C(=O)c1cccs1)CC2
InChIInChI=1S/C18H20N4O2S/c1-2-22-15-13(5-3-9-19-15)16(23)20-18(22)7-10-21(11-8-18)17(24)14-6-4-12-25-14/h3-6,9,12H,2,7-8,10-11H2,1H3,(H,20,23)
InChIKeyDYVOJOBSAYGRFY-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.35
Rot. Bonds2

About 1-ethyl-1'-(thiophene-2-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one

1-ethyl-1'-(thiophene-2-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one (PubChem CID 16675374) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-ethyl-1'-(thiophene-2-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1-ethyl-1'-(thiophene-2-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
PubChem CID16675374
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name1-ethyl-1'-(thiophene-2-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
SMILESCCN1c2ncccc2C(=O)NC12CCN(C(=O)c1cccs1)CC2
InChIInChI=1S/C18H20N4O2S/c1-2-22-15-13(5-3-9-19-15)16(23)20-18(22)7-10-21(11-8-18)17(24)14-6-4-12-25-14/h3-6,9,12H,2,7-8,10-11H2,1H3,(H,20,23)
InChIKeyDYVOJOBSAYGRFY-UHFFFAOYSA-N
XLogP2.35
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 16675382
1-methyl-1'-(pyridine-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 95807541
1'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 16675929
1'-[(2,6-difluorophenyl)methyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 16672548
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 63125245
1-methyl-1'-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 16669052
1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 126468141
9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 97370792
4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 118744989
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1'-(thiophene-2-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The IUPAC name of 1-ethyl-1'-(thiophene-2-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one (CID 16675374) is 1-ethyl-1'-(thiophene-2-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one.
What is the SMILES notation for 1-ethyl-1'-(thiophene-2-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The canonical SMILES for 1-ethyl-1'-(thiophene-2-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one is CCN1c2ncccc2C(=O)NC12CCN(C(=O)c1cccs1)CC2.
What is the InChIKey of 1-ethyl-1'-(thiophene-2-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The InChIKey is DYVOJOBSAYGRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-2-22-15-13(5-3-9-19-15)16(23)20-18(22)7-10-21(11-8-18)17(24)14-6-4-12-25-14/h3-6,9,12H,2,7-8,10-11H2,1H3,(H,20,23).
What are the key properties of 1-ethyl-1'-(thiophene-2-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
1-ethyl-1'-(thiophene-2-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one has a molecular weight of 356.45 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1'-(thiophene-2-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one is sourced from PubChem (CID 16675374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).