methyl 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate

C14H19N3O3 — CID 137007527

IUPACmethyl 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C14H19N3O3/c1-20-14(19)10-4-6-17(7-5-10)11-8-12(18)16-13(15-11)9-2-3-9/h8-10H,2-7H2,1H3,(H,15,16,18)
InChIKeyHBNJANOOGNBABO-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.04
Rot. Bonds3

About methyl 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate

methyl 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate (PubChem CID 137007527) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate
PubChem CID137007527
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C14H19N3O3/c1-20-14(19)10-4-6-17(7-5-10)11-8-12(18)16-13(15-11)9-2-3-9/h8-10H,2-7H2,1H3,(H,15,16,18)
InChIKeyHBNJANOOGNBABO-UHFFFAOYSA-N
XLogP1.04
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 137009141
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 137008934
2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one
CID 137009763
2-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136961769
2-cyclopropyl-4-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137007807
2-cyclopropyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 137009758
methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 136989698
2-cyclopropyl-4-(3-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009930
2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid
CID 136958750
2-cyclopropyl-4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136989892
4-[4-(2-aminoethoxy)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 137008671
2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821998

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate (CID 137007527) is methyl 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate is COC(=O)C1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1.
What is the InChIKey of methyl 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate?
The InChIKey is HBNJANOOGNBABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-20-14(19)10-4-6-17(7-5-10)11-8-12(18)16-13(15-11)9-2-3-9/h8-10H,2-7H2,1H3,(H,15,16,18).
What are the key properties of methyl 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate?
methyl 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 137007527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).