propan-2-yl 4-[(6-chloro-5-methoxy-1-methyl-2H-pyrimidin-4-yl)oxy]piperidine-1-carboxylate

C15H24ClN3O4 — CID 154553002

IUPACpropan-2-yl 4-[(6-chloro-5-methoxy-1-methyl-2H-pyrimidin-4-yl)oxy]piperidine-1-carboxylate
SMILESCOC1=C(Cl)N(C)CN=C1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C15H24ClN3O4/c1-10(2)22-15(20)19-7-5-11(6-8-19)23-14-12(21-4)13(16)18(3)9-17-14/h10-11H,5-9H2,1-4H3
InChIKeyFUVBMHPNLUMZMT-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.37
Rot. Bonds3

About propan-2-yl 4-[(6-chloro-5-methoxy-1-methyl-2H-pyrimidin-4-yl)oxy]piperidine-1-carboxylate

propan-2-yl 4-[(6-chloro-5-methoxy-1-methyl-2H-pyrimidin-4-yl)oxy]piperidine-1-carboxylate (PubChem CID 154553002) has the molecular formula C15H24ClN3O4 and a molecular weight of 345.83 g/mol. Its IUPAC name is propan-2-yl 4-[(6-chloro-5-methoxy-1-methyl-2H-pyrimidin-4-yl)oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[(6-chloro-5-methoxy-1-methyl-2H-pyrimidin-4-yl)oxy]piperidine-1-carboxylate
PubChem CID154553002
Molecular FormulaC15H24ClN3O4
Molecular Weight345.83 g/mol
Exact Mass345.15
IUPAC Namepropan-2-yl 4-[(6-chloro-5-methoxy-1-methyl-2H-pyrimidin-4-yl)oxy]piperidine-1-carboxylate
SMILESCOC1=C(Cl)N(C)CN=C1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C15H24ClN3O4/c1-10(2)22-15(20)19-7-5-11(6-8-19)23-14-12(21-4)13(16)18(3)9-17-14/h10-11H,5-9H2,1-4H3
InChIKeyFUVBMHPNLUMZMT-UHFFFAOYSA-N
XLogP2.37
TPSA63.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 4-(4-chloro-5-methoxypyrimidin-2-yl)oxypiperidine-1-carboxylate
CID 91129742
propan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58484438
propan-2-yl 4-[(1S)-1-(2-chloropyrimidin-5-yl)oxyethyl]piperidine-1-carboxylate
CID 154077034
propan-2-yl 4-benzoyloxypiperidine-1-carboxylate
CID 143813196
propan-2-yl 4-[6-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46701216
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
ethane;propan-2-yl 4-(3-hydroxypropyl)piperidine-1-carboxylate
CID 143188885
propan-2-yl 4-(1-cyanoethoxy)piperidine-1-carboxylate
CID 66743137
propan-2-yl 4-[4-[(6-cyano-2-methyl-3-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate
CID 53492466
propan-2-yl 4-[[2-[[6-(3-hydroxypropoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 11496562
propan-2-yl 4-[3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazolo[4,5-d]pyrimidin-7-yl]oxypiperidine-1-carboxylate
CID 58735208
methyl 3,6-dichloro-5-[4-(1-propan-2-yloxycarbonylpiperidin-4-yl)oxyiminopiperidin-1-yl]pyrazine-2-carboxylate
CID 86655013

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(6-chloro-5-methoxy-1-methyl-2H-pyrimidin-4-yl)oxy]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[(6-chloro-5-methoxy-1-methyl-2H-pyrimidin-4-yl)oxy]piperidine-1-carboxylate (CID 154553002) is propan-2-yl 4-[(6-chloro-5-methoxy-1-methyl-2H-pyrimidin-4-yl)oxy]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[(6-chloro-5-methoxy-1-methyl-2H-pyrimidin-4-yl)oxy]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[(6-chloro-5-methoxy-1-methyl-2H-pyrimidin-4-yl)oxy]piperidine-1-carboxylate is COC1=C(Cl)N(C)CN=C1OC1CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-[(6-chloro-5-methoxy-1-methyl-2H-pyrimidin-4-yl)oxy]piperidine-1-carboxylate?
The InChIKey is FUVBMHPNLUMZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O4/c1-10(2)22-15(20)19-7-5-11(6-8-19)23-14-12(21-4)13(16)18(3)9-17-14/h10-11H,5-9H2,1-4H3.
What are the key properties of propan-2-yl 4-[(6-chloro-5-methoxy-1-methyl-2H-pyrimidin-4-yl)oxy]piperidine-1-carboxylate?
propan-2-yl 4-[(6-chloro-5-methoxy-1-methyl-2H-pyrimidin-4-yl)oxy]piperidine-1-carboxylate has a molecular weight of 345.83 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(6-chloro-5-methoxy-1-methyl-2H-pyrimidin-4-yl)oxy]piperidine-1-carboxylate is sourced from PubChem (CID 154553002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).