4-[(3-fluorophenyl)methyl]-N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidine-1-carboxamide

C19H25FN4O2 — CID 155021016

IUPAC4-[(3-fluorophenyl)methyl]-N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidine-1-carboxamide
SMILESC/C=C\C(=N/N(C)C=O)NC(=O)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H25FN4O2/c1-3-5-18(22-23(2)14-25)21-19(26)24-10-8-15(9-11-24)12-16-6-4-7-17(20)13-16/h3-7,13-15H,8-12H2,1-2H3,(H,21,22,26)/b5-3-
InChIKeyMURBUZULXLGBPW-HYXAFXHYSA-N
MW360.43 g/mol
LogP2.77
Rot. Bonds5

About 4-[(3-fluorophenyl)methyl]-N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidine-1-carboxamide

4-[(3-fluorophenyl)methyl]-N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidine-1-carboxamide (PubChem CID 155021016) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidine-1-carboxamide
PubChem CID155021016
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name4-[(3-fluorophenyl)methyl]-N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidine-1-carboxamide
SMILESC/C=C\C(=N/N(C)C=O)NC(=O)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H25FN4O2/c1-3-5-18(22-23(2)14-25)21-19(26)24-10-8-15(9-11-24)12-16-6-4-7-17(20)13-16/h3-7,13-15H,8-12H2,1-2H3,(H,21,22,26)/b5-3-
InChIKeyMURBUZULXLGBPW-HYXAFXHYSA-N
XLogP2.77
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(3-fluorophenyl)methyl]-N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidine-1-carboxamide 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

1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 119736878
2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119736883
4-[[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid
CID 122021549
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 76868299
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
2-[ethyl-[3-[[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026887
2-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119181763
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60502457
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 119736886
N-[1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 136577855
4-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
CID 139007024

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidine-1-carboxamide?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidine-1-carboxamide (CID 155021016) is 4-[(3-fluorophenyl)methyl]-N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidine-1-carboxamide is C/C=C\C(=N/N(C)C=O)NC(=O)N1CCC(Cc2cccc(F)c2)CC1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidine-1-carboxamide?
The InChIKey is MURBUZULXLGBPW-HYXAFXHYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-3-5-18(22-23(2)14-25)21-19(26)24-10-8-15(9-11-24)12-16-6-4-7-17(20)13-16/h3-7,13-15H,8-12H2,1-2H3,(H,21,22,26)/b5-3-.
What are the key properties of 4-[(3-fluorophenyl)methyl]-N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidine-1-carboxamide?
4-[(3-fluorophenyl)methyl]-N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidine-1-carboxamide has a molecular weight of 360.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidine-1-carboxamide is sourced from PubChem (CID 155021016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).