(2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone

C16H19FN4O — CID 119111056

IUPAC(2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCC(NCc2ncc[nH]2)CC1
InChIInChI=1S/C16H19FN4O/c17-14-4-2-1-3-13(14)16(22)21-9-5-12(6-10-21)20-11-15-18-7-8-19-15/h1-4,7-8,12,20H,5-6,9-11H2,(H,18,19)
InChIKeySTURLVJYIGKZDP-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.94
Rot. Bonds4

About (2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone

(2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone (PubChem CID 119111056) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone
PubChem CID119111056
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name(2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCC(NCc2ncc[nH]2)CC1
InChIInChI=1S/C16H19FN4O/c17-14-4-2-1-3-13(14)16(22)21-9-5-12(6-10-21)20-11-15-18-7-8-19-15/h1-4,7-8,12,20H,5-6,9-11H2,(H,18,19)
InChIKeySTURLVJYIGKZDP-UHFFFAOYSA-N
XLogP1.94
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone 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

(2-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone
CID 86808741
(2,4-dimethoxyphenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone
CID 119111699
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
[4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 98220392
(2-fluorophenyl)-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
CID 119126691
(2-fluorophenyl)-[4-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]piperidin-1-yl]methanone
CID 119108021
3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108563637
(2-chlorophenyl)-[4-[2-[(3-fluoro-2-pyridinyl)oxy]ethylamino]piperidin-1-yl]methanone
CID 167794895
[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 97353146
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]butanamide
CID 119282477
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 110820368

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone (CID 119111056) is (2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone is O=C(c1ccccc1F)N1CCC(NCc2ncc[nH]2)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone?
The InChIKey is STURLVJYIGKZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c17-14-4-2-1-3-13(14)16(22)21-9-5-12(6-10-21)20-11-15-18-7-8-19-15/h1-4,7-8,12,20H,5-6,9-11H2,(H,18,19).
What are the key properties of (2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone?
(2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone has a molecular weight of 302.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119111056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).