3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide

C22H25N3O4 — CID 109053830

IUPAC3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cccc(C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C22H25N3O4/c1-16(2)29-20-9-4-3-8-19(20)23-21(27)17-6-5-7-18(14-17)22(28)25-12-10-24(15-26)11-13-25/h3-9,14-16H,10-13H2,1-2H3,(H,23,27)
InChIKeyRJMVWKRVJJGHGA-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.64
Rot. Bonds6

About 3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide

3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide (PubChem CID 109053830) 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-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide
PubChem CID109053830
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cccc(C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C22H25N3O4/c1-16(2)29-20-9-4-3-8-19(20)23-21(27)17-6-5-7-18(14-17)22(28)25-12-10-24(15-26)11-13-25/h3-9,14-16H,10-13H2,1-2H3,(H,23,27)
InChIKeyRJMVWKRVJJGHGA-UHFFFAOYSA-N
XLogP2.64
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.64
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-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053802
N-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053818
4-[2-(2-propan-2-yloxyanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168877
N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044330
N-(4-fluorophenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053814
4-[2-(2-propan-2-yloxyanilino)pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254405
5-(piperidine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109102949
N-(4-acetylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053836
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230971
3-(4-formylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
CID 108961120
3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150877
N-(4-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053820

Frequently Asked Questions

What is the IUPAC name of 3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide (CID 109053830) is 3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide is CC(C)Oc1ccccc1NC(=O)c1cccc(C(=O)N2CCN(C=O)CC2)c1.
What is the InChIKey of 3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide?
The InChIKey is RJMVWKRVJJGHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-16(2)29-20-9-4-3-8-19(20)23-21(27)17-6-5-7-18(14-17)22(28)25-12-10-24(15-26)11-13-25/h3-9,14-16H,10-13H2,1-2H3,(H,23,27).
What are the key properties of 3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide?
3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide has a molecular weight of 395.46 g/mol, XLogP of 2.64, 6 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-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 109053830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).