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

C22H25N3O4 — CID 109046351

IUPAC4-(4-formylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(C(=O)N2CCN(C=O)CC2)cc1
InChIInChI=1S/C22H25N3O4/c1-29-20-5-3-2-4-17(20)10-11-23-21(27)18-6-8-19(9-7-18)22(28)25-14-12-24(16-26)13-15-25/h2-9,16H,10-15H2,1H3,(H,23,27)
InChIKeyRVKHGIRZQIXHLC-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.58
Rot. Bonds7

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

4-(4-formylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 109046351) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-(4-formylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(4-formylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
PubChem CID109046351
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name4-(4-formylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(C(=O)N2CCN(C=O)CC2)cc1
InChIInChI=1S/C22H25N3O4/c1-29-20-5-3-2-4-17(20)10-11-23-21(27)18-6-8-19(9-7-18)22(28)25-14-12-24(16-26)13-15-25/h2-9,16H,10-15H2,1H3,(H,23,27)
InChIKeyRVKHGIRZQIXHLC-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

3-(4-formylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109053757
4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109046451
3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109055466
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104421
4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109047377
4-[6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116947
5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109104558
2-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109088111
N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 17427984
4-benzamido-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 55534844
3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 109053769

Frequently Asked Questions

What is the IUPAC name of 4-(4-formylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-(4-formylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide (CID 109046351) is 4-(4-formylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(4-formylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-(4-formylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide is COc1ccccc1CCNC(=O)c1ccc(C(=O)N2CCN(C=O)CC2)cc1.
What is the InChIKey of 4-(4-formylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is RVKHGIRZQIXHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-29-20-5-3-2-4-17(20)10-11-23-21(27)18-6-8-19(9-7-18)22(28)25-14-12-24(16-26)13-15-25/h2-9,16H,10-15H2,1H3,(H,23,27).
What are the key properties of 4-(4-formylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide?
4-(4-formylpiperazine-1-carbonyl)-N-[2-(2-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 4-(4-formylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 109046351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).