ethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate

C17H23N3O4 — CID 56908194

IUPACethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1C(=O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C17H23N3O4/c1-2-24-14(21)9-12-5-3-4-8-20(12)17(23)13-10-18-15(11-6-7-11)19-16(13)22/h10-12H,2-9H2,1H3,(H,18,19,22)
InChIKeyYNJLBMCHPPBDMO-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.60
Rot. Bonds5

About ethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate

ethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate (PubChem CID 56908194) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate
PubChem CID56908194
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Nameethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1C(=O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C17H23N3O4/c1-2-24-14(21)9-12-5-3-4-8-20(12)17(23)13-10-18-15(11-6-7-11)19-16(13)22/h10-12H,2-9H2,1H3,(H,18,19,22)
InChIKeyYNJLBMCHPPBDMO-UHFFFAOYSA-N
XLogP1.60
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-5-[2-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 70749178
ethyl 2-[1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidin-2-yl]acetate
CID 70762897
ethyl 2-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]acetate
CID 70780559
ethyl 2-[1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidin-2-yl]acetate
CID 56912268
2-cyclopropyl-5-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 56885278
methyl 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate
CID 61010258
methyl 2-[1-(5-amino-2-methylpyridine-3-carbonyl)piperidin-2-yl]acetate
CID 61138572
2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 65390526
ethyl 2-[1-[4-(1H-pyrazol-5-yl)benzoyl]piperidin-2-yl]acetate
CID 56901719
methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate
CID 61009273
benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 86319274
ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate
CID 70735433

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate (CID 56908194) is ethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate is CCOC(=O)CC1CCCCN1C(=O)c1cnc(C2CC2)[nH]c1=O.
What is the InChIKey of ethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate?
The InChIKey is YNJLBMCHPPBDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-2-24-14(21)9-12-5-3-4-8-20(12)17(23)13-10-18-15(11-6-7-11)19-16(13)22/h10-12H,2-9H2,1H3,(H,18,19,22).
What are the key properties of ethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate?
ethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate has a molecular weight of 333.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate is sourced from PubChem (CID 56908194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).