4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid

C12H17N3O3 — CID 139925030

IUPAC4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid
SMILESCOc1ccnc(NC2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C12H17N3O3/c1-18-10-2-5-13-11(8-10)14-9-3-6-15(7-4-9)12(16)17/h2,5,8-9H,3-4,6-7H2,1H3,(H,13,14)(H,16,17)
InChIKeyWGOOGYITTVJFGX-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.64
Rot. Bonds3

About 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid

4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid (PubChem CID 139925030) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid
PubChem CID139925030
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid
SMILESCOc1ccnc(NC2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C12H17N3O3/c1-18-10-2-5-13-11(8-10)14-9-3-6-15(7-4-9)12(16)17/h2,5,8-9H,3-4,6-7H2,1H3,(H,13,14)(H,16,17)
InChIKeyWGOOGYITTVJFGX-UHFFFAOYSA-N
XLogP1.64
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 115922912
1-benzothiophen-2-yl-[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 54435102
4-methoxy-N-piperidin-4-ylpyridin-2-amine
CID 11458426
4-methoxy-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-2-amine
CID 75498023
4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid
CID 166692462
1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone
CID 118929980
2-[[(4-methoxy-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylic acid
CID 140516562
4-methoxy-N-(oxan-3-yl)pyridin-2-amine
CID 115922910
3-[[6-chloro-4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]amino]piperidine-1-carboxylic acid
CID 156562925
(3S)-3-[(1R)-1-hydroxy-2-[[2-[(1-methoxycarbonylpiperidin-4-yl)amino]pyridine-4-carbonyl]amino]ethyl]-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 130405967
4-[[2-(2-fluoro-4-methylsulfonylanilino)-4-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 141132562
ethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 154752830

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid (CID 139925030) is 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid is COc1ccnc(NC2CCN(C(=O)O)CC2)c1.
What is the InChIKey of 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid?
The InChIKey is WGOOGYITTVJFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-10-2-5-13-11(8-10)14-9-3-6-15(7-4-9)12(16)17/h2,5,8-9H,3-4,6-7H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid?
4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 139925030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).