1-(3-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperidine-3-carboxylic acid

C14H19N3O3 — CID 102549318

IUPAC1-(3-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESCn1c(N2CCCC(C(=O)O)C2)nc2c(c1=O)CCC2
InChIInChI=1S/C14H19N3O3/c1-16-12(18)10-5-2-6-11(10)15-14(16)17-7-3-4-9(8-17)13(19)20/h9H,2-8H2,1H3,(H,19,20)
InChIKeyPPPKPBFSBCVZOH-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.57
Rot. Bonds2

About 1-(3-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperidine-3-carboxylic acid

1-(3-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperidine-3-carboxylic acid (PubChem CID 102549318) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(3-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperidine-3-carboxylic acid
PubChem CID102549318
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-(3-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESCn1c(N2CCCC(C(=O)O)C2)nc2c(c1=O)CCC2
InChIInChI=1S/C14H19N3O3/c1-16-12(18)10-5-2-6-11(10)15-14(16)17-7-3-4-9(8-17)13(19)20/h9H,2-8H2,1H3,(H,19,20)
InChIKeyPPPKPBFSBCVZOH-UHFFFAOYSA-N
XLogP0.57
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperidine-3-carboxylic acid (CID 102549318) is 1-(3-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperidine-3-carboxylic acid is Cn1c(N2CCCC(C(=O)O)C2)nc2c(c1=O)CCC2.
What is the InChIKey of 1-(3-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is PPPKPBFSBCVZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16-12(18)10-5-2-6-11(10)15-14(16)17-7-3-4-9(8-17)13(19)20/h9H,2-8H2,1H3,(H,19,20).
What are the key properties of 1-(3-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperidine-3-carboxylic acid?
1-(3-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 102549318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).