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

C16H24N4O4 — CID 70870739

IUPAC4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid
SMILESCc1c(OC2CCNCC2)ncnc1OC1CCN(C(=O)O)CC1
InChIInChI=1S/C16H24N4O4/c1-11-14(23-12-2-6-17-7-3-12)18-10-19-15(11)24-13-4-8-20(9-5-13)16(21)22/h10,12-13,17H,2-9H2,1H3,(H,21,22)
InChIKeyWYNVZAIBBGZPPZ-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.44
Rot. Bonds4

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

4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid (PubChem CID 70870739) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid
PubChem CID70870739
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid
SMILESCc1c(OC2CCNCC2)ncnc1OC1CCN(C(=O)O)CC1
InChIInChI=1S/C16H24N4O4/c1-11-14(23-12-2-6-17-7-3-12)18-10-19-15(11)24-13-4-8-20(9-5-13)16(21)22/h10,12-13,17H,2-9H2,1H3,(H,21,22)
InChIKeyWYNVZAIBBGZPPZ-UHFFFAOYSA-N
XLogP1.44
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid (CID 70870739) is 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid is Cc1c(OC2CCNCC2)ncnc1OC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid?
The InChIKey is WYNVZAIBBGZPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-11-14(23-12-2-6-17-7-3-12)18-10-19-15(11)24-13-4-8-20(9-5-13)16(21)22/h10,12-13,17H,2-9H2,1H3,(H,21,22).
What are the key properties of 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid?
4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 70870739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).