ethyl 2-[(1-pyrimidin-2-ylpiperidine-3-carbonyl)amino]acetate

C14H20N4O3 — CID 644802

IUPACethyl 2-[(1-pyrimidin-2-ylpiperidine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C14H20N4O3/c1-2-21-12(19)9-17-13(20)11-5-3-8-18(10-11)14-15-6-4-7-16-14/h4,6-7,11H,2-3,5,8-10H2,1H3,(H,17,20)
InChIKeyVCZUYYYPEXNVBE-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.37
Rot. Bonds5

About ethyl 2-[(1-pyrimidin-2-ylpiperidine-3-carbonyl)amino]acetate

ethyl 2-[(1-pyrimidin-2-ylpiperidine-3-carbonyl)amino]acetate (PubChem CID 644802) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl 2-[(1-pyrimidin-2-ylpiperidine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-pyrimidin-2-ylpiperidine-3-carbonyl)amino]acetate
PubChem CID644802
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Nameethyl 2-[(1-pyrimidin-2-ylpiperidine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C14H20N4O3/c1-2-21-12(19)9-17-13(20)11-5-3-8-18(10-11)14-15-6-4-7-16-14/h4,6-7,11H,2-3,5,8-10H2,1H3,(H,17,20)
InChIKeyVCZUYYYPEXNVBE-UHFFFAOYSA-N
XLogP0.37
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-1-(pyrimidin-2-yl)piperidine-3-carboxamide
CID 645990
N-(3-methoxypropyl)-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 651470
2-{1-[2-(Methylamino)pyrimidin-4-YL]piperidin-4-YL}-N-(3-methylbutyl)acetamide
CID 53189388
3-(Morpholin-4-ylcarbonyl)-1'-pyrimidin-2-yl-1,4'-bipiperidine
CID 56862502
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 648367
N-(cyclohexylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223371
N-Ethyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 3224207
Ethyl 4-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]butanoate
CID 8196375
Ethyl 2-[(4-pyrimidin-2-ylpiperazinyl)carbonylamino]acetate
CID 17174442
1-(1-Methoxypropan-2-yl)-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 45831205
2-(3-{[4-(Pyrimidin-2-yloxy)piperidin-1-yl]carbonyl}piperidin-1-yl)acetamide
CID 46992901
(3aS,4R,7aS)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97364994

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-pyrimidin-2-ylpiperidine-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(1-pyrimidin-2-ylpiperidine-3-carbonyl)amino]acetate (CID 644802) is ethyl 2-[(1-pyrimidin-2-ylpiperidine-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(1-pyrimidin-2-ylpiperidine-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(1-pyrimidin-2-ylpiperidine-3-carbonyl)amino]acetate is CCOC(=O)CNC(=O)C1CCCN(c2ncccn2)C1.
What is the InChIKey of ethyl 2-[(1-pyrimidin-2-ylpiperidine-3-carbonyl)amino]acetate?
The InChIKey is VCZUYYYPEXNVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-2-21-12(19)9-17-13(20)11-5-3-8-18(10-11)14-15-6-4-7-16-14/h4,6-7,11H,2-3,5,8-10H2,1H3,(H,17,20).
What are the key properties of ethyl 2-[(1-pyrimidin-2-ylpiperidine-3-carbonyl)amino]acetate?
ethyl 2-[(1-pyrimidin-2-ylpiperidine-3-carbonyl)amino]acetate has a molecular weight of 292.34 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-pyrimidin-2-ylpiperidine-3-carbonyl)amino]acetate is sourced from PubChem (CID 644802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).