methyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate

C15H23N3O3 — CID 115537166

IUPACmethyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(Cc2cccnc2OC)CC1
InChIInChI=1S/C15H23N3O3/c1-20-14(19)5-7-17-8-10-18(11-9-17)12-13-4-3-6-16-15(13)21-2/h3-4,6H,5,7-12H2,1-2H3
InChIKeyYRYLIHMAURHNQX-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.77
Rot. Bonds6

About methyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate

methyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate (PubChem CID 115537166) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate
PubChem CID115537166
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(Cc2cccnc2OC)CC1
InChIInChI=1S/C15H23N3O3/c1-20-14(19)5-7-17-8-10-18(11-9-17)12-13-4-3-6-16-15(13)21-2/h3-4,6H,5,7-12H2,1-2H3
InChIKeyYRYLIHMAURHNQX-UHFFFAOYSA-N
XLogP0.77
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]propanoate
CID 22678299
1-(2-bromoethyl)-4-[(2-methoxy-3-pyridinyl)methyl]-1,4-diazepane
CID 80667519
N-[(2R)-butan-2-yl]-2-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 99838420
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
1-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carbaldehyde
CID 22678407
1-[6-[(2-methoxy-3-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
CID 175831150
4-[[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 136537455
2-[(2-methoxy-3-pyridinyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60858022
3-[[4-(bromomethyl)piperidin-1-yl]methyl]-2-methoxypyridine
CID 80676486
1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 60762093
4-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine;tris(2,2,2-trifluoroacetic acid)
CID 155844429
formic acid;1-[4-[(2-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-3-pyridin-4-ylpropan-1-one
CID 154921946

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate (CID 115537166) is methyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate is COC(=O)CCN1CCN(Cc2cccnc2OC)CC1.
What is the InChIKey of methyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate?
The InChIKey is YRYLIHMAURHNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-20-14(19)5-7-17-8-10-18(11-9-17)12-13-4-3-6-16-15(13)21-2/h3-4,6H,5,7-12H2,1-2H3.
What are the key properties of methyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate?
methyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate has a molecular weight of 293.37 g/mol, XLogP of 0.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate is sourced from PubChem (CID 115537166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).