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

C15H21N3O3 — CID 137007565

IUPACmethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C15H21N3O3/c1-21-14(20)8-11-4-2-3-7-18(11)12-9-13(19)17-15(16-12)10-5-6-10/h9-11H,2-8H2,1H3,(H,16,17,19)
InChIKeyARDXINIAUCFKEC-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.57
Rot. Bonds4

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

methyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate (PubChem CID 137007565) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
PubChem CID137007565
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Namemethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C15H21N3O3/c1-21-14(20)8-11-4-2-3-7-18(11)12-9-13(19)17-15(16-12)10-5-6-10/h9-11H,2-8H2,1H3,(H,16,17,19)
InChIKeyARDXINIAUCFKEC-UHFFFAOYSA-N
XLogP1.57
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate (CID 137007565) is methyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of methyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
The InChIKey is ARDXINIAUCFKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-14(20)8-11-4-2-3-7-18(11)12-9-13(19)17-15(16-12)10-5-6-10/h9-11H,2-8H2,1H3,(H,16,17,19).
What are the key properties of methyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
methyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate has a molecular weight of 291.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate is sourced from PubChem (CID 137007565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).