(4-pyridin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

C19H23N3O4 — CID 28761

IUPAC(4-pyridin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3ccccn3)CC2)cc(OC)c1OC
InChIInChI=1S/C19H23N3O4/c1-24-15-12-14(13-16(25-2)18(15)26-3)19(23)22-10-8-21(9-11-22)17-6-4-5-7-20-17/h4-7,12-13H,8-11H2,1-3H3
InChIKeyFCSIXXHVPJCRTN-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.07
Rot. Bonds5

About (4-pyridin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

(4-pyridin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 28761) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is (4-pyridin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-pyridin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID28761
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name(4-pyridin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3ccccn3)CC2)cc(OC)c1OC
InChIInChI=1S/C19H23N3O4/c1-24-15-12-14(13-16(25-2)18(15)26-3)19(23)22-10-8-21(9-11-22)17-6-4-5-7-20-17/h4-7,12-13H,8-11H2,1-3H3
InChIKeyFCSIXXHVPJCRTN-UHFFFAOYSA-N
XLogP2.07
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 28761) is (4-pyridin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-pyridin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (4-pyridin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCN(c3ccccn3)CC2)cc(OC)c1OC.
What is the InChIKey of (4-pyridin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is FCSIXXHVPJCRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-24-15-12-14(13-16(25-2)18(15)26-3)19(23)22-10-8-21(9-11-22)17-6-4-5-7-20-17/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of (4-pyridin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(4-pyridin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 357.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 28761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).