methyl 2-[2-methoxy-4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetate

C21H25N3O5 — CID 55776583

IUPACmethyl 2-[2-methoxy-4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)NC2CCN(c3ccccn3)CC2)cc1OC
InChIInChI=1S/C21H25N3O5/c1-27-18-13-15(6-7-17(18)29-14-20(25)28-2)21(26)23-16-8-11-24(12-9-16)19-5-3-4-10-22-19/h3-7,10,13,16H,8-9,11-12,14H2,1-2H3,(H,23,26)
InChIKeyUPUQVWRJLYGQCG-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.04
Rot. Bonds7

About methyl 2-[2-methoxy-4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetate

methyl 2-[2-methoxy-4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetate (PubChem CID 55776583) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is methyl 2-[2-methoxy-4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methoxy-4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetate
PubChem CID55776583
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Namemethyl 2-[2-methoxy-4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)NC2CCN(c3ccccn3)CC2)cc1OC
InChIInChI=1S/C21H25N3O5/c1-27-18-13-15(6-7-17(18)29-14-20(25)28-2)21(26)23-16-8-11-24(12-9-16)19-5-3-4-10-22-19/h3-7,10,13,16H,8-9,11-12,14H2,1-2H3,(H,23,26)
InChIKeyUPUQVWRJLYGQCG-UHFFFAOYSA-N
XLogP2.04
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetic acid
CID 138032228
3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide
CID 90621378
2-(2,5-dimethoxyphenyl)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 78876192
3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697550
3-methoxy-4-phenylmethoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 55708637
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597214
6-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)pyridine-3-carboxamide
CID 86989964
N-cyclopropyl-2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridine-4-carboxamide
CID 72916898
3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 5017279
N-cyclopentyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109166043
N-cyclopropyl-3-[[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]amino]-4-methylbenzamide
CID 11419031

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methoxy-4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-methoxy-4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetate (CID 55776583) is methyl 2-[2-methoxy-4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-methoxy-4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-methoxy-4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetate is COC(=O)COc1ccc(C(=O)NC2CCN(c3ccccn3)CC2)cc1OC.
What is the InChIKey of methyl 2-[2-methoxy-4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetate?
The InChIKey is UPUQVWRJLYGQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-27-18-13-15(6-7-17(18)29-14-20(25)28-2)21(26)23-16-8-11-24(12-9-16)19-5-3-4-10-22-19/h3-7,10,13,16H,8-9,11-12,14H2,1-2H3,(H,23,26).
What are the key properties of methyl 2-[2-methoxy-4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetate?
methyl 2-[2-methoxy-4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetate has a molecular weight of 399.45 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methoxy-4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetate is sourced from PubChem (CID 55776583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).