4-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid

C16H24N4O5 — CID 135219408

IUPAC4-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid
SMILESCOc1c(OC2CCNCC2)ncnc1OC1CCN(C(=O)O)CC1
InChIInChI=1S/C16H24N4O5/c1-23-13-14(24-11-2-6-17-7-3-11)18-10-19-15(13)25-12-4-8-20(9-5-12)16(21)22/h10-12,17H,2-9H2,1H3,(H,21,22)
InChIKeyFXSWYBZBWUJYHC-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.14
Rot. Bonds5

About 4-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid

4-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid (PubChem CID 135219408) has the molecular formula C16H24N4O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid
PubChem CID135219408
Molecular FormulaC16H24N4O5
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC Name4-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid
SMILESCOc1c(OC2CCNCC2)ncnc1OC1CCN(C(=O)O)CC1
InChIInChI=1S/C16H24N4O5/c1-23-13-14(24-11-2-6-17-7-3-11)18-10-19-15(13)25-12-4-8-20(9-5-12)16(21)22/h10-12,17H,2-9H2,1H3,(H,21,22)
InChIKeyFXSWYBZBWUJYHC-UHFFFAOYSA-N
XLogP1.14
TPSA106.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-iodo-5-methoxy-6-piperidin-4-yloxypyrimidine
CID 88897202
propan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58484438
4-piperidin-4-yloxypiperidine-1-carboxylic acid
CID 69156881
4-[6-[(2,4-dimethyl-6-methylsulfonyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 142786808
5-methyl-4,6-di(piperidin-4-yloxy)pyrimidine
CID 58484436
3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid
CID 162515355
4-[5-ethynyl-6-(2-fluoro-4-methoxyphenoxy)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 87195262
5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine
CID 163866789
tert-butyl 4-(5-methyl-6-piperazin-1-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 135219469
3-(9-methylpurin-6-yl)oxypyrrolidine-1-carboxylic acid
CID 135309552
1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone
CID 58547694
4-(4-azabicyclo[5.5.0]dodeca-1(12),7,9-trien-10-yloxy)piperidine-1-carboxylic acid
CID 143792175

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid (CID 135219408) is 4-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid is COc1c(OC2CCNCC2)ncnc1OC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid?
The InChIKey is FXSWYBZBWUJYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5/c1-23-13-14(24-11-2-6-17-7-3-11)18-10-19-15(13)25-12-4-8-20(9-5-12)16(21)22/h10-12,17H,2-9H2,1H3,(H,21,22).
What are the key properties of 4-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid?
4-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 135219408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).