(2,6-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

C19H23N3O3 — CID 695011

IUPAC(2,6-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C19H23N3O3/c1-24-16-4-3-5-17(25-2)18(16)19(23)22-12-10-21(11-13-22)14-15-6-8-20-9-7-15/h3-9H,10-14H2,1-2H3
InChIKeyGPQDQIDVRJFMIU-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.06
Rot. Bonds5

About (2,6-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

(2,6-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 695011) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID695011
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(2,6-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C19H23N3O3/c1-24-16-4-3-5-17(25-2)18(16)19(23)22-12-10-21(11-13-22)14-15-6-8-20-9-7-15/h3-9H,10-14H2,1-2H3
InChIKeyGPQDQIDVRJFMIU-UHFFFAOYSA-N
XLogP2.06
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 695011) is (2,6-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is COc1cccc(OC)c1C(=O)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of (2,6-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is GPQDQIDVRJFMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-16-4-3-5-17(25-2)18(16)19(23)22-12-10-21(11-13-22)14-15-6-8-20-9-7-15/h3-9H,10-14H2,1-2H3.
What are the key properties of (2,6-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
(2,6-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 695011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).