3-(4-ethylphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]propanamide

C23H29N3O3 — CID 110604577

IUPAC3-(4-ethylphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]propanamide
SMILESCCc1ccc(CCC(=O)Nc2cc(N3CCN(C=O)CC3)ccc2OC)cc1
InChIInChI=1S/C23H29N3O3/c1-3-18-4-6-19(7-5-18)8-11-23(28)24-21-16-20(9-10-22(21)29-2)26-14-12-25(17-27)13-15-26/h4-7,9-10,16-17H,3,8,11-15H2,1-2H3,(H,24,28)
InChIKeyPYBTTZXZRYPQPF-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.11
Rot. Bonds8

About 3-(4-ethylphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]propanamide

3-(4-ethylphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]propanamide (PubChem CID 110604577) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]propanamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]propanamide
PubChem CID110604577
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name3-(4-ethylphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]propanamide
SMILESCCc1ccc(CCC(=O)Nc2cc(N3CCN(C=O)CC3)ccc2OC)cc1
InChIInChI=1S/C23H29N3O3/c1-3-18-4-6-19(7-5-18)8-11-23(28)24-21-16-20(9-10-22(21)29-2)26-14-12-25(17-27)13-15-26/h4-7,9-10,16-17H,3,8,11-15H2,1-2H3,(H,24,28)
InChIKeyPYBTTZXZRYPQPF-UHFFFAOYSA-N
XLogP3.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-phenoxypropanamide
CID 110428691
N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide
CID 110604554
3-(3,4-dimethoxyphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 113026085
2-(3,4-dimethylphenoxy)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]acetamide
CID 110426115
N-(2-methoxy-5-morpholin-4-ylphenyl)pentanamide
CID 110359739
N-(2-methoxy-5-piperidin-1-ylphenyl)pentanamide
CID 110359665
1-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-(oxan-4-yl)urea
CID 110613966
4-[4-methoxy-3-(methylsulfamoylamino)phenyl]piperazine-1-carbaldehyde
CID 110613961
2-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)acetamide
CID 110362005
N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]butane-1-sulfonamide
CID 110428724
N-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)propanamide
CID 41453982
N-(5-chloro-2-methoxyphenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide
CID 108944777

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]propanamide?
The IUPAC name of 3-(4-ethylphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]propanamide (CID 110604577) is 3-(4-ethylphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]propanamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]propanamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]propanamide is CCc1ccc(CCC(=O)Nc2cc(N3CCN(C=O)CC3)ccc2OC)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]propanamide?
The InChIKey is PYBTTZXZRYPQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-18-4-6-19(7-5-18)8-11-23(28)24-21-16-20(9-10-22(21)29-2)26-14-12-25(17-27)13-15-26/h4-7,9-10,16-17H,3,8,11-15H2,1-2H3,(H,24,28).
What are the key properties of 3-(4-ethylphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]propanamide?
3-(4-ethylphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]propanamide has a molecular weight of 395.50 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]propanamide is sourced from PubChem (CID 110604577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).