1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid

C13H17N3O3 — CID 136958311

IUPAC1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C13H17N3O3/c17-11-7-10(14-12(15-11)8-1-2-8)16-5-3-9(4-6-16)13(18)19/h7-9H,1-6H2,(H,18,19)(H,14,15,17)
InChIKeyKJFRWVCWRDRDRO-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.95
Rot. Bonds3

About 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid

1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 136958311) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID136958311
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C13H17N3O3/c17-11-7-10(14-12(15-11)8-1-2-8)16-5-3-9(4-6-16)13(18)19/h7-9H,1-6H2,(H,18,19)(H,14,15,17)
InChIKeyKJFRWVCWRDRDRO-UHFFFAOYSA-N
XLogP0.95
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid
CID 136672024
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid
CID 136672027
2-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136672028
2-cyclopropyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136772453
1-(2-Amino-6-oxo-1,6-dihydropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136776188
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 136792252
1-(6-Oxo-1,6-dihydropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136854288
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136914106
(3S,4S)-1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 136954403
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136958310
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136958313
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136958324

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid (CID 136958311) is 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1.
What is the InChIKey of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is KJFRWVCWRDRDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-11-7-10(14-12(15-11)8-1-2-8)16-5-3-9(4-6-16)13(18)19/h7-9H,1-6H2,(H,18,19)(H,14,15,17).
What are the key properties of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 136958311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).