4-[4-(6-amino-2-pyridinyl)-3-methoxyphenoxy]piperidine-1-carboxylic acid

C18H21N3O4 — CID 66624899

IUPAC4-[4-(6-amino-2-pyridinyl)-3-methoxyphenoxy]piperidine-1-carboxylic acid
SMILESCOc1cc(OC2CCN(C(=O)O)CC2)ccc1-c1cccc(N)n1
InChIInChI=1S/C18H21N3O4/c1-24-16-11-13(25-12-7-9-21(10-8-12)18(22)23)5-6-14(16)15-3-2-4-17(19)20-15/h2-6,11-12H,7-10H2,1H3,(H2,19,20)(H,22,23)
InChIKeyDFQHGRPZDVXKIB-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.86
Rot. Bonds4

About 4-[4-(6-amino-2-pyridinyl)-3-methoxyphenoxy]piperidine-1-carboxylic acid

4-[4-(6-amino-2-pyridinyl)-3-methoxyphenoxy]piperidine-1-carboxylic acid (PubChem CID 66624899) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-[4-(6-amino-2-pyridinyl)-3-methoxyphenoxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(6-amino-2-pyridinyl)-3-methoxyphenoxy]piperidine-1-carboxylic acid
PubChem CID66624899
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name4-[4-(6-amino-2-pyridinyl)-3-methoxyphenoxy]piperidine-1-carboxylic acid
SMILESCOc1cc(OC2CCN(C(=O)O)CC2)ccc1-c1cccc(N)n1
InChIInChI=1S/C18H21N3O4/c1-24-16-11-13(25-12-7-9-21(10-8-12)18(22)23)5-6-14(16)15-3-2-4-17(19)20-15/h2-6,11-12H,7-10H2,1H3,(H2,19,20)(H,22,23)
InChIKeyDFQHGRPZDVXKIB-UHFFFAOYSA-N
XLogP2.86
TPSA97.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxy-4-nitrophenoxy)piperidine-1-carboxylic acid
CID 156749027
4-naphthalen-2-yloxypiperidine-1-carboxylic acid
CID 18423340
4-[[1-(4-methoxyphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 57468346
4-(3-chlorophenoxy)piperidine-1-carboxylic acid
CID 22353407
4-[(1-oxo-3H-2-benzofuran-5-yl)oxy]piperidine-1-carboxylic acid
CID 89445047
2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyridine
CID 174733971
4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl chloride
CID 18914181
2-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
CID 10545874
4-(3-bromo-5-methoxyphenoxy)piperidine-1-carboxylic acid
CID 67203574
4-(4-chloro-3-hydroxyphenoxy)piperidine-1-carboxylic acid
CID 135387758
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
[4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone
CID 67168779

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-amino-2-pyridinyl)-3-methoxyphenoxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-(6-amino-2-pyridinyl)-3-methoxyphenoxy]piperidine-1-carboxylic acid (CID 66624899) is 4-[4-(6-amino-2-pyridinyl)-3-methoxyphenoxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(6-amino-2-pyridinyl)-3-methoxyphenoxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-(6-amino-2-pyridinyl)-3-methoxyphenoxy]piperidine-1-carboxylic acid is COc1cc(OC2CCN(C(=O)O)CC2)ccc1-c1cccc(N)n1.
What is the InChIKey of 4-[4-(6-amino-2-pyridinyl)-3-methoxyphenoxy]piperidine-1-carboxylic acid?
The InChIKey is DFQHGRPZDVXKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-24-16-11-13(25-12-7-9-21(10-8-12)18(22)23)5-6-14(16)15-3-2-4-17(19)20-15/h2-6,11-12H,7-10H2,1H3,(H2,19,20)(H,22,23).
What are the key properties of 4-[4-(6-amino-2-pyridinyl)-3-methoxyphenoxy]piperidine-1-carboxylic acid?
4-[4-(6-amino-2-pyridinyl)-3-methoxyphenoxy]piperidine-1-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-amino-2-pyridinyl)-3-methoxyphenoxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 66624899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).