3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid

C17H26N4O3 — CID 70780123

IUPAC3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid
SMILESCc1nc(C2CCCN(CCC(=O)O)C2)cc(N2CCOCC2)n1
InChIInChI=1S/C17H26N4O3/c1-13-18-15(11-16(19-13)21-7-9-24-10-8-21)14-3-2-5-20(12-14)6-4-17(22)23/h11,14H,2-10,12H2,1H3,(H,22,23)
InChIKeyPOGJBDNGXBOSBS-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.28
Rot. Bonds5

About 3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid

3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid (PubChem CID 70780123) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid
PubChem CID70780123
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid
SMILESCc1nc(C2CCCN(CCC(=O)O)C2)cc(N2CCOCC2)n1
InChIInChI=1S/C17H26N4O3/c1-13-18-15(11-16(19-13)21-7-9-24-10-8-21)14-3-2-5-20(12-14)6-4-17(22)23/h11,14H,2-10,12H2,1H3,(H,22,23)
InChIKeyPOGJBDNGXBOSBS-UHFFFAOYSA-N
XLogP1.28
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid (CID 70780123) is 3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid is Cc1nc(C2CCCN(CCC(=O)O)C2)cc(N2CCOCC2)n1.
What is the InChIKey of 3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid?
The InChIKey is POGJBDNGXBOSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-13-18-15(11-16(19-13)21-7-9-24-10-8-21)14-3-2-5-20(12-14)6-4-17(22)23/h11,14H,2-10,12H2,1H3,(H,22,23).
What are the key properties of 3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid?
3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid has a molecular weight of 334.42 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 70780123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).