4-[[6-(2-phenylmethoxyethylamino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid

C20H25N3O4 — CID 129278172

IUPAC4-[[6-(2-phenylmethoxyethylamino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2ccc(NCCOCc3ccccc3)nc2)CC1
InChIInChI=1S/C20H25N3O4/c24-20(25)23-11-8-17(9-12-23)27-18-6-7-19(22-14-18)21-10-13-26-15-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2,(H,21,22)(H,24,25)
InChIKeyINUPIULWYRCWDV-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.23
Rot. Bonds8

About 4-[[6-(2-phenylmethoxyethylamino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid

4-[[6-(2-phenylmethoxyethylamino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid (PubChem CID 129278172) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-[[6-(2-phenylmethoxyethylamino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[6-(2-phenylmethoxyethylamino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid
PubChem CID129278172
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name4-[[6-(2-phenylmethoxyethylamino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2ccc(NCCOCc3ccccc3)nc2)CC1
InChIInChI=1S/C20H25N3O4/c24-20(25)23-11-8-17(9-12-23)27-18-6-7-19(22-14-18)21-10-13-26-15-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2,(H,21,22)(H,24,25)
InChIKeyINUPIULWYRCWDV-UHFFFAOYSA-N
XLogP3.23
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-2-pyridinyl]-2-phenylacetamide
CID 175623233
4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid
CID 18536514
[6-(benzylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 28766355
N'-methyl-4-phenoxy-N-(2-phenylmethoxyethyl)piperidine-1-carboximidamide
CID 109427995
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 68924039
4-naphthalen-2-yloxypiperidine-1-carboxylic acid
CID 18423340
2-[2-oxo-2-[4-(4-phenylmethoxyphenoxy)piperidin-1-yl]ethyl]benzoic acid
CID 58347900
4-(2-phenylmethoxyethoxy)-N-propylpiperidine-1-carboxamide
CID 91918376
[6-(2-methylsulfanylethylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 26405317
(1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
CID 91907819
4-[[6-(3,3,3-trifluoro-2-hydroxypropoxy)-3-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 129277675

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2-phenylmethoxyethylamino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[6-(2-phenylmethoxyethylamino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid (CID 129278172) is 4-[[6-(2-phenylmethoxyethylamino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[6-(2-phenylmethoxyethylamino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[6-(2-phenylmethoxyethylamino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid is O=C(O)N1CCC(Oc2ccc(NCCOCc3ccccc3)nc2)CC1.
What is the InChIKey of 4-[[6-(2-phenylmethoxyethylamino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid?
The InChIKey is INUPIULWYRCWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c24-20(25)23-11-8-17(9-12-23)27-18-6-7-19(22-14-18)21-10-13-26-15-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2,(H,21,22)(H,24,25).
What are the key properties of 4-[[6-(2-phenylmethoxyethylamino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid?
4-[[6-(2-phenylmethoxyethylamino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid has a molecular weight of 371.44 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2-phenylmethoxyethylamino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 129278172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).