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

C11H15N3O3 — CID 136914106

IUPAC1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCc1nc(N2CCC(C(=O)O)CC2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c1-7-12-9(6-10(15)13-7)14-4-2-8(3-5-14)11(16)17/h6,8H,2-5H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyPWJNFRPKCIPLHZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.38
Rot. Bonds2

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

1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 136914106) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID136914106
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCc1nc(N2CCC(C(=O)O)CC2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c1-7-12-9(6-10(15)13-7)14-4-2-8(3-5-14)11(16)17/h6,8H,2-5H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyPWJNFRPKCIPLHZ-UHFFFAOYSA-N
XLogP0.38
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methyl-6-oxo-1,6-dihydropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 135629609
2-(6-oxo-4-piperidin-1-yl-1H-pyrimidin-2-yl)acetic acid
CID 136345078
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
(3S,4S)-4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136689835
4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136772454
1-(2-Amino-6-oxo-1,6-dihydropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136776188
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 136792255
1-acetyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 136834832
1-(6-Oxo-1,6-dihydropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136854288
(3S)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914109

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid (CID 136914106) is 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid is Cc1nc(N2CCC(C(=O)O)CC2)cc(=O)[nH]1.
What is the InChIKey of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is PWJNFRPKCIPLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-12-9(6-10(15)13-7)14-4-2-8(3-5-14)11(16)17/h6,8H,2-5H2,1H3,(H,16,17)(H,12,13,15).
What are the key properties of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 136914106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).