methyl 2-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate

C12H17N3O3 — CID 136989671

IUPACmethyl 2-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C12H17N3O3/c1-18-12(17)6-9-4-2-3-5-15(9)10-7-11(16)14-8-13-10/h7-9H,2-6H2,1H3,(H,13,14,16)
InChIKeyOKNOEPBNJFCPJI-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.69
Rot. Bonds3

About methyl 2-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate

methyl 2-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate (PubChem CID 136989671) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 2-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
PubChem CID136989671
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 2-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C12H17N3O3/c1-18-12(17)6-9-4-2-3-5-15(9)10-7-11(16)14-8-13-10/h7-9H,2-6H2,1H3,(H,13,14,16)
InChIKeyOKNOEPBNJFCPJI-UHFFFAOYSA-N
XLogP0.69
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 136958581
2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 136958585
3-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 136958736
methyl 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
CID 136989672
ethyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
CID 136989713
methyl 6-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoate
CID 137007487
methyl 2-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
CID 137007562
methyl 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
CID 137007563
methyl 2-[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
CID 137007564
methyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
CID 137007565
methyl 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
CID 137007566
methyl 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
CID 137007567

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate (CID 136989671) is methyl 2-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1c1cc(=O)[nH]cn1.
What is the InChIKey of methyl 2-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
The InChIKey is OKNOEPBNJFCPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-12(17)6-9-4-2-3-5-15(9)10-7-11(16)14-8-13-10/h7-9H,2-6H2,1H3,(H,13,14,16).
What are the key properties of methyl 2-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
methyl 2-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate has a molecular weight of 251.29 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate is sourced from PubChem (CID 136989671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).