3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-nitrobenzamide;hydrochloride

C15H21ClFN3O4 — CID 120892055

IUPAC3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-nitrobenzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCNCC1.Cl
InChIInChI=1S/C15H20FN3O4.ClH/c1-23-10-15(2-4-17-5-3-15)9-18-14(20)11-6-12(16)8-13(7-11)19(21)22;/h6-8,17H,2-5,9-10H2,1H3,(H,18,20);1H
InChIKeyZDFFAHKKYUZBGN-UHFFFAOYSA-N
MW361.80 g/mol
LogP1.90
Rot. Bonds6

About 3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-nitrobenzamide;hydrochloride

3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-nitrobenzamide;hydrochloride (PubChem CID 120892055) has the molecular formula C15H21ClFN3O4 and a molecular weight of 361.80 g/mol. Its IUPAC name is 3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-nitrobenzamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-nitrobenzamide;hydrochloride
PubChem CID120892055
Molecular FormulaC15H21ClFN3O4
Molecular Weight361.80 g/mol
Exact Mass361.12
IUPAC Name3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-nitrobenzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCNCC1.Cl
InChIInChI=1S/C15H20FN3O4.ClH/c1-23-10-15(2-4-17-5-3-15)9-18-14(20)11-6-12(16)8-13(7-11)19(21)22;/h6-8,17H,2-5,9-10H2,1H3,(H,18,20);1H
InChIKeyZDFFAHKKYUZBGN-UHFFFAOYSA-N
XLogP1.90
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-nitrobenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-nitrobenzamide;hydrochloride
CID 120892059
3-bromo-5-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887847
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
3-fluoro-N-(4-methylpiperidin-4-yl)-5-nitrobenzamide
CID 114696332
2-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzamide;hydrochloride
CID 120889114
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-nitrophenyl)acetamide;hydrochloride
CID 120888032
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-nitrophenyl)acetamide
CID 120888033
4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-nitrobenzamide;hydrochloride
CID 120887351
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzamide
CID 120887254
2-bromo-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120891841
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-nitrobenzamide;hydrochloride?
The IUPAC name of 3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-nitrobenzamide;hydrochloride (CID 120892055) is 3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-nitrobenzamide;hydrochloride.
What is the SMILES notation for 3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-nitrobenzamide;hydrochloride?
The canonical SMILES for 3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-nitrobenzamide;hydrochloride is COCC1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCNCC1.Cl.
What is the InChIKey of 3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-nitrobenzamide;hydrochloride?
The InChIKey is ZDFFAHKKYUZBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O4.ClH/c1-23-10-15(2-4-17-5-3-15)9-18-14(20)11-6-12(16)8-13(7-11)19(21)22;/h6-8,17H,2-5,9-10H2,1H3,(H,18,20);1H.
What are the key properties of 3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-nitrobenzamide;hydrochloride?
3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-nitrobenzamide;hydrochloride has a molecular weight of 361.80 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-nitrobenzamide;hydrochloride is sourced from PubChem (CID 120892055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).