(4-methoxyphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone

C19H23N3O3 — CID 71604368

IUPAC(4-methoxyphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(CCOc3cccnc3)CC2)cc1
InChIInChI=1S/C19H23N3O3/c1-24-17-6-4-16(5-7-17)19(23)22-11-9-21(10-12-22)13-14-25-18-3-2-8-20-15-18/h2-8,15H,9-14H2,1H3
InChIKeyVOKCKVQKMXVJNW-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.93
Rot. Bonds6

About (4-methoxyphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone

(4-methoxyphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone (PubChem CID 71604368) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
PubChem CID71604368
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(4-methoxyphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(CCOc3cccnc3)CC2)cc1
InChIInChI=1S/C19H23N3O3/c1-24-17-6-4-16(5-7-17)19(23)22-11-9-21(10-12-22)13-14-25-18-3-2-8-20-15-18/h2-8,15H,9-14H2,1H3
InChIKeyVOKCKVQKMXVJNW-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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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone (CID 71604368) is (4-methoxyphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(CCOc3cccnc3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The InChIKey is VOKCKVQKMXVJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-17-6-4-16(5-7-17)19(23)22-11-9-21(10-12-22)13-14-25-18-3-2-8-20-15-18/h2-8,15H,9-14H2,1H3.
What are the key properties of (4-methoxyphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
(4-methoxyphenyl)-[4-(2-pyridin-3-yloxyethyl)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 (4-methoxyphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71604368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).