3-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

C16H23N3O2 — CID 7748097

IUPAC3-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1CC(=O)N1CCCCCC1)CCC2
InChIInChI=1S/C16H23N3O2/c1-12-17-14-8-6-7-13(14)16(21)19(12)11-15(20)18-9-4-2-3-5-10-18/h2-11H2,1H3
InChIKeyBYYDKSPFXMRNRY-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.44
Rot. Bonds2

About 3-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

3-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 7748097) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID7748097
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1CC(=O)N1CCCCCC1)CCC2
InChIInChI=1S/C16H23N3O2/c1-12-17-14-8-6-7-13(14)16(21)19(12)11-15(20)18-9-4-2-3-5-10-18/h2-11H2,1H3
InChIKeyBYYDKSPFXMRNRY-UHFFFAOYSA-N
XLogP1.44
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one with MolForge

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Related Compounds

3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-trimethyleno
CID 523979
1,8-Diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;perchloric acid
CID 23321504
1,8-Diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;hydrochloride
CID 23321506
2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile
CID 7747984
2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
CID 7748093
2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748095
N,N-diethyl-2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
CID 7748098
3-[2-(azepan-1-yl)-2-oxoethyl]-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748440
2,3-dimethyl-6-[(1-methyl-2-azepanyl)carbonyl]-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72920003
3-(2-aminobutyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 82168031
3-(1-aminopropan-2-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 82168032
3-(2-amino-2-methylpropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 82168033

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 3-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 7748097) is 3-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is Cc1nc2c(c(=O)n1CC(=O)N1CCCCCC1)CCC2.
What is the InChIKey of 3-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is BYYDKSPFXMRNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-17-14-8-6-7-13(14)16(21)19(12)11-15(20)18-9-4-2-3-5-10-18/h2-11H2,1H3.
What are the key properties of 3-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
3-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 289.38 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 7748097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).