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

C17H25N3O3 — CID 109017963

IUPAC3-(4-formylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)CCN2CCN(C=O)CC2)c1
InChIInChI=1S/C17H25N3O3/c1-23-16-4-2-3-15(13-16)5-7-18-17(22)6-8-19-9-11-20(14-21)12-10-19/h2-4,13-14H,5-12H2,1H3,(H,18,22)
InChIKeyVMTILQWZSDWFDD-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.52
Rot. Bonds8

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

3-(4-formylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide (PubChem CID 109017963) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-(4-formylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-formylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
PubChem CID109017963
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name3-(4-formylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)CCN2CCN(C=O)CC2)c1
InChIInChI=1S/C17H25N3O3/c1-23-16-4-2-3-15(13-16)5-7-18-17(22)6-8-19-9-11-20(14-21)12-10-19/h2-4,13-14H,5-12H2,1H3,(H,18,22)
InChIKeyVMTILQWZSDWFDD-UHFFFAOYSA-N
XLogP0.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.52
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

4-[2-(3-methoxyphenyl)ethyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108858
N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 113108807
3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 109053769
N-[2-(3-methoxyphenyl)ethyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109025513
N-[2-(3-methoxyphenyl)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 78879278
2-(4-benzylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109000996
4-(2-methoxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113104923
3-(1,1-dioxothiazinan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110687859
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 108900940
N-[2-(3-methoxyphenyl)ethyl]-4-(3-methylbutyl)piperazine-1-carboxamide
CID 113109427

Frequently Asked Questions

What is the IUPAC name of 3-(4-formylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-formylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide (CID 109017963) is 3-(4-formylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-formylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-formylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide is COc1cccc(CCNC(=O)CCN2CCN(C=O)CC2)c1.
What is the InChIKey of 3-(4-formylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The InChIKey is VMTILQWZSDWFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-23-16-4-2-3-15(13-16)5-7-18-17(22)6-8-19-9-11-20(14-21)12-10-19/h2-4,13-14H,5-12H2,1H3,(H,18,22).
What are the key properties of 3-(4-formylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
3-(4-formylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide has a molecular weight of 319.40 g/mol, XLogP of 0.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 109017963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).