ethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate

C16H24N4O3 — CID 6487050

IUPACethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C1CCCN(c2nc(C)cc(C)n2)C1
InChIInChI=1S/C16H24N4O3/c1-4-23-14(21)9-17-15(22)13-6-5-7-20(10-13)16-18-11(2)8-12(3)19-16/h8,13H,4-7,9-10H2,1-3H3,(H,17,22)
InChIKeyHGLDVOBOUKRJDW-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.99
Rot. Bonds5

About ethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate

ethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate (PubChem CID 6487050) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate
PubChem CID6487050
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Nameethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C1CCCN(c2nc(C)cc(C)n2)C1
InChIInChI=1S/C16H24N4O3/c1-4-23-14(21)9-17-15(22)13-6-5-7-20(10-13)16-18-11(2)8-12(3)19-16/h8,13H,4-7,9-10H2,1-3H3,(H,17,22)
InChIKeyHGLDVOBOUKRJDW-UHFFFAOYSA-N
XLogP0.99
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 6557857
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 96558783
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 96557748
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96558140
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]piperidine-3-carboxamide
CID 124880075
1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3224330
(3R)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 7436064
(3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436254
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 96557903
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 96558079
N-(4-butoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224267

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate (CID 6487050) is ethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate is CCOC(=O)CNC(=O)C1CCCN(c2nc(C)cc(C)n2)C1.
What is the InChIKey of ethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate?
The InChIKey is HGLDVOBOUKRJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-4-23-14(21)9-17-15(22)13-6-5-7-20(10-13)16-18-11(2)8-12(3)19-16/h8,13H,4-7,9-10H2,1-3H3,(H,17,22).
What are the key properties of ethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate?
ethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate has a molecular weight of 320.39 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate is sourced from PubChem (CID 6487050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).