6-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyridine-2-carboxylic acid

C17H25N3O3 — CID 72902904

IUPAC6-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCC(C1CCN(c2cccc(C(=O)O)n2)CC1)N1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-13(19-9-11-23-12-10-19)14-5-7-20(8-6-14)16-4-2-3-15(18-16)17(21)22/h2-4,13-14H,5-12H2,1H3,(H,21,22)
InChIKeyNDCRQOPAWXXBOG-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.72
Rot. Bonds4

About 6-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyridine-2-carboxylic acid

6-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 72902904) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 6-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID72902904
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name6-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCC(C1CCN(c2cccc(C(=O)O)n2)CC1)N1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-13(19-9-11-23-12-10-19)14-5-7-20(8-6-14)16-4-2-3-15(18-16)17(21)22/h2-4,13-14H,5-12H2,1H3,(H,21,22)
InChIKeyNDCRQOPAWXXBOG-UHFFFAOYSA-N
XLogP1.72
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyridine-2-carboxylic acid (CID 72902904) is 6-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyridine-2-carboxylic acid is CC(C1CCN(c2cccc(C(=O)O)n2)CC1)N1CCOCC1.
What is the InChIKey of 6-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is NDCRQOPAWXXBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13(19-9-11-23-12-10-19)14-5-7-20(8-6-14)16-4-2-3-15(18-16)17(21)22/h2-4,13-14H,5-12H2,1H3,(H,21,22).
What are the key properties of 6-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
6-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 72902904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).