3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide

C22H25N3O4 — CID 109053769

IUPAC3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(CCNC(=O)c2cccc(C(=O)N3CCN(C=O)CC3)c2)c1
InChIInChI=1S/C22H25N3O4/c1-29-20-7-2-4-17(14-20)8-9-23-21(27)18-5-3-6-19(15-18)22(28)25-12-10-24(16-26)11-13-25/h2-7,14-16H,8-13H2,1H3,(H,23,27)
InChIKeyUKGLXXVUYYHJPD-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.58
Rot. Bonds7

About 3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide

3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 109053769) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
PubChem CID109053769
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(CCNC(=O)c2cccc(C(=O)N3CCN(C=O)CC3)c2)c1
InChIInChI=1S/C22H25N3O4/c1-29-20-7-2-4-17(14-20)8-9-23-21(27)18-5-3-6-19(15-18)22(28)25-12-10-24(16-26)11-13-25/h2-7,14-16H,8-13H2,1H3,(H,23,27)
InChIKeyUKGLXXVUYYHJPD-UHFFFAOYSA-N
XLogP1.58
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046103
N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044244
3-(4-formylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109017963
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
3-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 109053657
3-(4-formylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109053757
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055482
N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081831
N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081685
4-(4-formylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109046351
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055
N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 155530519

Frequently Asked Questions

What is the IUPAC name of 3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide (CID 109053769) is 3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide is COc1cccc(CCNC(=O)c2cccc(C(=O)N3CCN(C=O)CC3)c2)c1.
What is the InChIKey of 3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is UKGLXXVUYYHJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-29-20-7-2-4-17(14-20)8-9-23-21(27)18-5-3-6-19(15-18)22(28)25-12-10-24(16-26)11-13-25/h2-7,14-16H,8-13H2,1H3,(H,23,27).
What are the key properties of 3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide?
3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 395.46 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 109053769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).