(2-methoxyphenyl)-[2-(pyridin-2-yloxymethyl)piperazin-1-yl]methanone

C18H21N3O3 — CID 91561336

IUPAC(2-methoxyphenyl)-[2-(pyridin-2-yloxymethyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCNCC1COc1ccccn1
InChIInChI=1S/C18H21N3O3/c1-23-16-7-3-2-6-15(16)18(22)21-11-10-19-12-14(21)13-24-17-8-4-5-9-20-17/h2-9,14,19H,10-13H2,1H3
InChIKeyVHDHMDVOLBZNJA-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.58
Rot. Bonds5

About (2-methoxyphenyl)-[2-(pyridin-2-yloxymethyl)piperazin-1-yl]methanone

(2-methoxyphenyl)-[2-(pyridin-2-yloxymethyl)piperazin-1-yl]methanone (PubChem CID 91561336) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2-methoxyphenyl)-[2-(pyridin-2-yloxymethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[2-(pyridin-2-yloxymethyl)piperazin-1-yl]methanone
PubChem CID91561336
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2-methoxyphenyl)-[2-(pyridin-2-yloxymethyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCNCC1COc1ccccn1
InChIInChI=1S/C18H21N3O3/c1-23-16-7-3-2-6-15(16)18(22)21-11-10-19-12-14(21)13-24-17-8-4-5-9-20-17/h2-9,14,19H,10-13H2,1H3
InChIKeyVHDHMDVOLBZNJA-UHFFFAOYSA-N
XLogP1.58
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[2-(pyridin-2-yloxymethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[2-(pyridin-2-yloxymethyl)piperazin-1-yl]methanone (CID 91561336) is (2-methoxyphenyl)-[2-(pyridin-2-yloxymethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[2-(pyridin-2-yloxymethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[2-(pyridin-2-yloxymethyl)piperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCNCC1COc1ccccn1.
What is the InChIKey of (2-methoxyphenyl)-[2-(pyridin-2-yloxymethyl)piperazin-1-yl]methanone?
The InChIKey is VHDHMDVOLBZNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-16-7-3-2-6-15(16)18(22)21-11-10-19-12-14(21)13-24-17-8-4-5-9-20-17/h2-9,14,19H,10-13H2,1H3.
What are the key properties of (2-methoxyphenyl)-[2-(pyridin-2-yloxymethyl)piperazin-1-yl]methanone?
(2-methoxyphenyl)-[2-(pyridin-2-yloxymethyl)piperazin-1-yl]methanone has a molecular weight of 327.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[2-(pyridin-2-yloxymethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 91561336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).