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

C11H14N3O3- — CID 135708180

IUPAC1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate
SMILESCc1cc(=O)[nH]c(N2CCC(C(=O)[O-])CC2)n1
InChIInChI=1S/C11H15N3O3/c1-7-6-9(15)13-11(12-7)14-4-2-8(3-5-14)10(16)17/h6,8H,2-5H2,1H3,(H,16,17)(H,12,13,15)/p-1
InChIKeyZFFCTRRQTOQPMC-UHFFFAOYSA-M
MW236.25 g/mol
LogP-0.96
Rot. Bonds2

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

1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate (PubChem CID 135708180) has the molecular formula C11H14N3O3- and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Name1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate
PubChem CID135708180
Molecular FormulaC11H14N3O3-
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate
SMILESCc1cc(=O)[nH]c(N2CCC(C(=O)[O-])CC2)n1
InChIInChI=1S/C11H15N3O3/c1-7-6-9(15)13-11(12-7)14-4-2-8(3-5-14)10(16)17/h6,8H,2-5H2,1H3,(H,16,17)(H,12,13,15)/p-1
InChIKeyZFFCTRRQTOQPMC-UHFFFAOYSA-M
XLogP-0.96
TPSA89.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidine-4-carboxamide
CID 136350758
1-(4-Hydroxy-6-trifluoromethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid ethyl ester
CID 136741357
1-(6-Oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 136741442
6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4(3H)-one
CID 135629605
Ethyl 1-(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)piperidine-4-carboxylate
CID 135646540
2-(3-ethylpiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 137160187
2-(4-ethylpiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 137160188
4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 166901176
1-(4-methyl-6-oxo-2,3-dihydro-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 53337389
1-(1,4-Dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 97619926
1-(4-Methyl-6-oxo-1,6-dihydropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 135629609
1-[N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide
CID 135875007

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate?
The IUPAC name of 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate (CID 135708180) is 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate is Cc1cc(=O)[nH]c(N2CCC(C(=O)[O-])CC2)n1.
What is the InChIKey of 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate?
The InChIKey is ZFFCTRRQTOQPMC-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15N3O3/c1-7-6-9(15)13-11(12-7)14-4-2-8(3-5-14)10(16)17/h6,8H,2-5H2,1H3,(H,16,17)(H,12,13,15)/p-1.
What are the key properties of 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate?
1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate has a molecular weight of 236.25 g/mol, XLogP of -0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 135708180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).