propan-2-yl 4-(4-chloro-5-methoxypyrimidin-2-yl)oxypiperidine-1-carboxylate

C14H20ClN3O4 — CID 91129742

IUPACpropan-2-yl 4-(4-chloro-5-methoxypyrimidin-2-yl)oxypiperidine-1-carboxylate
SMILESCOc1cnc(OC2CCN(C(=O)OC(C)C)CC2)nc1Cl
InChIInChI=1S/C14H20ClN3O4/c1-9(2)21-14(19)18-6-4-10(5-7-18)22-13-16-8-11(20-3)12(15)17-13/h8-10H,4-7H2,1-3H3
InChIKeyMAKDCWSJQSEEIH-UHFFFAOYSA-N
MW329.78 g/mol
LogP2.53
Rot. Bonds4

About propan-2-yl 4-(4-chloro-5-methoxypyrimidin-2-yl)oxypiperidine-1-carboxylate

propan-2-yl 4-(4-chloro-5-methoxypyrimidin-2-yl)oxypiperidine-1-carboxylate (PubChem CID 91129742) has the molecular formula C14H20ClN3O4 and a molecular weight of 329.78 g/mol. Its IUPAC name is propan-2-yl 4-(4-chloro-5-methoxypyrimidin-2-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(4-chloro-5-methoxypyrimidin-2-yl)oxypiperidine-1-carboxylate
PubChem CID91129742
Molecular FormulaC14H20ClN3O4
Molecular Weight329.78 g/mol
Exact Mass329.11
IUPAC Namepropan-2-yl 4-(4-chloro-5-methoxypyrimidin-2-yl)oxypiperidine-1-carboxylate
SMILESCOc1cnc(OC2CCN(C(=O)OC(C)C)CC2)nc1Cl
InChIInChI=1S/C14H20ClN3O4/c1-9(2)21-14(19)18-6-4-10(5-7-18)22-13-16-8-11(20-3)12(15)17-13/h8-10H,4-7H2,1-3H3
InChIKeyMAKDCWSJQSEEIH-UHFFFAOYSA-N
XLogP2.53
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 4-[(1S)-1-(2-chloropyrimidin-5-yl)oxyethyl]piperidine-1-carboxylate
CID 154077034
propan-2-yl 4-[(6-chloro-5-methoxy-1-methyl-2H-pyrimidin-4-yl)oxy]piperidine-1-carboxylate
CID 154553002
propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46700963
propan-2-yl 4-[4-[(6-cyano-2-methyl-3-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate
CID 53492466
propan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58484438
propan-2-yl 4-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-b]pyridazin-6-yl]oxypiperidine-1-carboxylate
CID 123804341
propan-2-yl 4-[6-(3-fluoro-1-oxidopyridin-1-ium-4-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856747
propan-2-yl 4-[6-(2,5-difluorophenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 67540981
propan-2-yl 4-[6-[(5-cyano-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57390603
propan-2-yl 4-[6-[[6-(2-fluoroethyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11362488
propan-2-yl 4-[5-methyl-6-[[2-methyl-6-(2-propan-2-yloxyethyl)-3-pyridinyl]oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856722
propan-2-yl 4-[(2-oxo-1-pyrimidin-5-yl-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 57468424

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(4-chloro-5-methoxypyrimidin-2-yl)oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-(4-chloro-5-methoxypyrimidin-2-yl)oxypiperidine-1-carboxylate (CID 91129742) is propan-2-yl 4-(4-chloro-5-methoxypyrimidin-2-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-(4-chloro-5-methoxypyrimidin-2-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-(4-chloro-5-methoxypyrimidin-2-yl)oxypiperidine-1-carboxylate is COc1cnc(OC2CCN(C(=O)OC(C)C)CC2)nc1Cl.
What is the InChIKey of propan-2-yl 4-(4-chloro-5-methoxypyrimidin-2-yl)oxypiperidine-1-carboxylate?
The InChIKey is MAKDCWSJQSEEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O4/c1-9(2)21-14(19)18-6-4-10(5-7-18)22-13-16-8-11(20-3)12(15)17-13/h8-10H,4-7H2,1-3H3.
What are the key properties of propan-2-yl 4-(4-chloro-5-methoxypyrimidin-2-yl)oxypiperidine-1-carboxylate?
propan-2-yl 4-(4-chloro-5-methoxypyrimidin-2-yl)oxypiperidine-1-carboxylate has a molecular weight of 329.78 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(4-chloro-5-methoxypyrimidin-2-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 91129742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).