(4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone

C20H24N2O4 — CID 7892809

IUPAC(4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)c(OC)c1OC
InChIInChI=1S/C20H24N2O4/c1-24-17-10-9-16(18(25-2)19(17)26-3)20(23)22-13-11-21(12-14-22)15-7-5-4-6-8-15/h4-10H,11-14H2,1-3H3
InChIKeyFRFHLXUXNFFLLU-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.67
Rot. Bonds5

About (4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone

(4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone (PubChem CID 7892809) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
PubChem CID7892809
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)c(OC)c1OC
InChIInChI=1S/C20H24N2O4/c1-24-17-10-9-16(18(25-2)19(17)26-3)20(23)22-13-11-21(12-14-22)15-7-5-4-6-8-15/h4-10H,11-14H2,1-3H3
InChIKeyFRFHLXUXNFFLLU-UHFFFAOYSA-N
XLogP2.67
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 45181952
azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
1-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 126814847
(4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 121187010
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
3-amino-1-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119342573
(2S)-2-amino-1-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 119342570
(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853167
(4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 71851779
(4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 43635827
[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 113077108
[5-(2-methoxyphenoxy)furan-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 75537760

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone (CID 7892809) is (4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)c(OC)c1OC.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone?
The InChIKey is FRFHLXUXNFFLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-24-17-10-9-16(18(25-2)19(17)26-3)20(23)22-13-11-21(12-14-22)15-7-5-4-6-8-15/h4-10H,11-14H2,1-3H3.
What are the key properties of (4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone?
(4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone has a molecular weight of 356.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone is sourced from PubChem (CID 7892809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).