2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone

C18H21N3O3 — CID 66797340

IUPAC2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCNCC1COc1cccnc1
InChIInChI=1S/C18H21N3O3/c22-18(14-24-16-5-2-1-3-6-16)21-10-9-20-11-15(21)13-23-17-7-4-8-19-12-17/h1-8,12,15,20H,9-11,13-14H2
InChIKeyCHDCCHSKFNTLKE-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.34
Rot. Bonds6

About 2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone

2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone (PubChem CID 66797340) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone
PubChem CID66797340
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCNCC1COc1cccnc1
InChIInChI=1S/C18H21N3O3/c22-18(14-24-16-5-2-1-3-6-16)21-10-9-20-11-15(21)13-23-17-7-4-8-19-12-17/h1-8,12,15,20H,9-11,13-14H2
InChIKeyCHDCCHSKFNTLKE-UHFFFAOYSA-N
XLogP1.34
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride
CID 90643561
(2-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate
CID 24878113
N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797636
N-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643580
(4-bromophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate
CID 24878117
N-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 66796663
(5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanone;dihydrochloride
CID 66796692
N-(4-benzoylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797042
(5-phenylthiophen-2-yl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanone;dihydrochloride
CID 66796546
N-(2-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878232
(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanone
CID 68844264
N-(4-chlorophenyl)-N-methyl-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797456

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone (CID 66797340) is 2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone is O=C(COc1ccccc1)N1CCNCC1COc1cccnc1.
What is the InChIKey of 2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone?
The InChIKey is CHDCCHSKFNTLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-18(14-24-16-5-2-1-3-6-16)21-10-9-20-11-15(21)13-23-17-7-4-8-19-12-17/h1-8,12,15,20H,9-11,13-14H2.
What are the key properties of 2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone?
2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone has a molecular weight of 327.38 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 66797340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).