3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

C22H27N3O2S — CID 7748849

IUPAC3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESO=C(Cn1c(SCCc2ccccc2)nc2c(c1=O)CCC2)N1CCCCC1
InChIInChI=1S/C22H27N3O2S/c26-20(24-13-5-2-6-14-24)16-25-21(27)18-10-7-11-19(18)23-22(25)28-15-12-17-8-3-1-4-9-17/h1,3-4,8-9H,2,5-7,10-16H2
InChIKeyAHHZHPRCQSZOPC-UHFFFAOYSA-N
MW397.54 g/mol
LogP3.08
Rot. Bonds6

About 3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 7748849) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is 3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID7748849
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Name3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESO=C(Cn1c(SCCc2ccccc2)nc2c(c1=O)CCC2)N1CCCCC1
InChIInChI=1S/C22H27N3O2S/c26-20(24-13-5-2-6-14-24)16-25-21(27)18-10-7-11-19(18)23-22(25)28-15-12-17-8-3-1-4-9-17/h1,3-4,8-9H,2,5-7,10-16H2
InChIKeyAHHZHPRCQSZOPC-UHFFFAOYSA-N
XLogP3.08
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one with MolForge

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Related Compounds

N,N-diethyl-2-[4-oxo-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide
CID 7748850
3-ethyl-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748824
2-(2-benzylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
CID 7748698
2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748095
10-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-11-(2-phenylethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 2529574
2-[2-[(2-chlorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide
CID 7748764
2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylsulfanyl)-1-pyrrolidin-1-ylethanone
CID 6622084
2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one
CID 41106928
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6-methyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one
CID 7748804
3-benzyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 1071926
2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 7748407
2-(2-benzylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 7748671

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 7748849) is 3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is O=C(Cn1c(SCCc2ccccc2)nc2c(c1=O)CCC2)N1CCCCC1.
What is the InChIKey of 3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is AHHZHPRCQSZOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c26-20(24-13-5-2-6-14-24)16-25-21(27)18-10-7-11-19(18)23-22(25)28-15-12-17-8-3-1-4-9-17/h1,3-4,8-9H,2,5-7,10-16H2.
What are the key properties of 3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 397.54 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 7748849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).