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

C19H23N3O4 — CID 70757151

IUPAC1-[(2-amino-3-pyridinyl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
SMILESCOc1ccccc1OC1(C(=O)O)CCN(Cc2cccnc2N)CC1
InChIInChI=1S/C19H23N3O4/c1-25-15-6-2-3-7-16(15)26-19(18(23)24)8-11-22(12-9-19)13-14-5-4-10-21-17(14)20/h2-7,10H,8-9,11-13H2,1H3,(H2,20,21)(H,23,24)
InChIKeyXJGSULXFLHJPKJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.17
Rot. Bonds6

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

1-[(2-amino-3-pyridinyl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid (PubChem CID 70757151) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[(2-amino-3-pyridinyl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-amino-3-pyridinyl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
PubChem CID70757151
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-[(2-amino-3-pyridinyl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
SMILESCOc1ccccc1OC1(C(=O)O)CCN(Cc2cccnc2N)CC1
InChIInChI=1S/C19H23N3O4/c1-25-15-6-2-3-7-16(15)26-19(18(23)24)8-11-22(12-9-19)13-14-5-4-10-21-17(14)20/h2-7,10H,8-9,11-13H2,1H3,(H2,20,21)(H,23,24)
InChIKeyXJGSULXFLHJPKJ-UHFFFAOYSA-N
XLogP2.17
TPSA97.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 70776089
1-(3-carbamoyl-2-pyridinyl)-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 70755771
1-[(2R)-2,3-dihydroxypropyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 96576694
1-(2-methoxyphenoxy)cyclopentane-1-carboxylic acid
CID 82129517
(3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97122214
3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470567
1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid
CID 70718212
1-[4-[(2-amino-3-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 62466270
1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 96575394
3-(piperidin-1-ylmethyl)pyridin-2-amine
CID 18771814
1-ethylsulfonyl-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
CID 56891383
1'-[(2-amino-3-pyridinyl)methyl]-N-propan-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 170506393

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-3-pyridinyl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-amino-3-pyridinyl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid (CID 70757151) is 1-[(2-amino-3-pyridinyl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-amino-3-pyridinyl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-amino-3-pyridinyl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid is COc1ccccc1OC1(C(=O)O)CCN(Cc2cccnc2N)CC1.
What is the InChIKey of 1-[(2-amino-3-pyridinyl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid?
The InChIKey is XJGSULXFLHJPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-25-15-6-2-3-7-16(15)26-19(18(23)24)8-11-22(12-9-19)13-14-5-4-10-21-17(14)20/h2-7,10H,8-9,11-13H2,1H3,(H2,20,21)(H,23,24).
What are the key properties of 1-[(2-amino-3-pyridinyl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid?
1-[(2-amino-3-pyridinyl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-3-pyridinyl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid is sourced from PubChem (CID 70757151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).