(2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone

C19H23N3O3 — CID 70726421

IUPAC(2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(CCOc3ccccc3)CC2)ccn1
InChIInChI=1S/C19H23N3O3/c1-24-18-15-16(7-8-20-18)19(23)22-11-9-21(10-12-22)13-14-25-17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3
InChIKeyQGPZHNDMZJSVPB-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.93
Rot. Bonds6

About (2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone

(2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (PubChem CID 70726421) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
PubChem CID70726421
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(CCOc3ccccc3)CC2)ccn1
InChIInChI=1S/C19H23N3O3/c1-24-18-15-16(7-8-20-18)19(23)22-11-9-21(10-12-22)13-14-25-17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3
InChIKeyQGPZHNDMZJSVPB-UHFFFAOYSA-N
XLogP1.93
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-phenoxyethyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 27846975
(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 110849835
1-methyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyridin-2-one
CID 35706233
[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 110638188
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 27846376
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364
(3,5-dimethoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 35147974
(3,4-dimethoxyphenyl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571415
(4-methoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638198
(2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 55379370
[4-(2-phenoxyethyl)piperazin-1-yl]-pyridazin-3-ylmethanone
CID 70707188
(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200428

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (CID 70726421) is (2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is COc1cc(C(=O)N2CCN(CCOc3ccccc3)CC2)ccn1.
What is the InChIKey of (2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The InChIKey is QGPZHNDMZJSVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-18-15-16(7-8-20-18)19(23)22-11-9-21(10-12-22)13-14-25-17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3.
What are the key properties of (2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
(2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 70726421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).