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

C15H23N3O3 — CID 137007738

IUPACethyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C15H23N3O3/c1-4-21-15(20)11-7-5-6-8-18(11)12-9-13(19)17-14(16-12)10(2)3/h9-11H,4-8H2,1-3H3,(H,16,17,19)
InChIKeyCUBYDHLTMPJVLV-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.82
Rot. Bonds4

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

ethyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylate (PubChem CID 137007738) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylate
PubChem CID137007738
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C15H23N3O3/c1-4-21-15(20)11-7-5-6-8-18(11)12-9-13(19)17-14(16-12)10(2)3/h9-11H,4-8H2,1-3H3,(H,16,17,19)
InChIKeyCUBYDHLTMPJVLV-UHFFFAOYSA-N
XLogP1.82
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136689829
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 136689832
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-2-carboxylic acid
CID 136896338
3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136896339
3-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136896342
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-2-carboxylic acid
CID 136896344
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958330
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958331
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958332
methyl 4-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoate
CID 136958677
methyl 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate
CID 136958679
2-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136972391

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylate (CID 137007738) is ethyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1c1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of ethyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
The InChIKey is CUBYDHLTMPJVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-21-15(20)11-7-5-6-8-18(11)12-9-13(19)17-14(16-12)10(2)3/h9-11H,4-8H2,1-3H3,(H,16,17,19).
What are the key properties of ethyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
ethyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylate is sourced from PubChem (CID 137007738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).