4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide

C16H25N3O2 — CID 119393714

IUPAC4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCOCc1ccc(C(=O)NCCCN2CCNCC2)cc1
InChIInChI=1S/C16H25N3O2/c1-21-13-14-3-5-15(6-4-14)16(20)18-7-2-10-19-11-8-17-9-12-19/h3-6,17H,2,7-13H2,1H3,(H,18,20)
InChIKeyHDFRBACNNRSQGD-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.86
Rot. Bonds7

About 4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide

4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide (PubChem CID 119393714) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
PubChem CID119393714
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCOCc1ccc(C(=O)NCCCN2CCNCC2)cc1
InChIInChI=1S/C16H25N3O2/c1-21-13-14-3-5-15(6-4-14)16(20)18-7-2-10-19-11-8-17-9-12-19/h3-6,17H,2,7-13H2,1H3,(H,18,20)
InChIKeyHDFRBACNNRSQGD-UHFFFAOYSA-N
XLogP0.86
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575
N-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide
CID 56812631
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390904
4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448613
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119390903
4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391112
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide
CID 51726434
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392771
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119394399
3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443390

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide (CID 119393714) is 4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide is COCc1ccc(C(=O)NCCCN2CCNCC2)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide?
The InChIKey is HDFRBACNNRSQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-21-13-14-3-5-15(6-4-14)16(20)18-7-2-10-19-11-8-17-9-12-19/h3-6,17H,2,7-13H2,1H3,(H,18,20).
What are the key properties of 4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide?
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide has a molecular weight of 291.40 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 119393714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).