N-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1-methylpiperidine-4-carboxamide

C26H32FN5O2S — CID 155925141

IUPACN-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)N[C@@H](CCCCCC(=O)c2nccs2)c2ncc(-c3ccc(F)cc3)[nH]2)CC1
InChIInChI=1S/C26H32FN5O2S/c1-32-14-11-19(12-15-32)25(34)31-21(5-3-2-4-6-23(33)26-28-13-16-35-26)24-29-17-22(30-24)18-7-9-20(27)10-8-18/h7-10,13,16-17,19,21H,2-6,11-12,14-15H2,1H3,(H,29,30)(H,31,34)/t21-/m0/s1
InChIKeyOEVNYXUGKVJBIX-NRFANRHFSA-N
MW497.64 g/mol
LogP5.00
Rot. Bonds11

About N-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1-methylpiperidine-4-carboxamide

N-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1-methylpiperidine-4-carboxamide (PubChem CID 155925141) has the molecular formula C26H32FN5O2S and a molecular weight of 497.64 g/mol. Its IUPAC name is N-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1-methylpiperidine-4-carboxamide
PubChem CID155925141
Molecular FormulaC26H32FN5O2S
Molecular Weight497.64 g/mol
Exact Mass497.23
IUPAC NameN-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)N[C@@H](CCCCCC(=O)c2nccs2)c2ncc(-c3ccc(F)cc3)[nH]2)CC1
InChIInChI=1S/C26H32FN5O2S/c1-32-14-11-19(12-15-32)25(34)31-21(5-3-2-4-6-23(33)26-28-13-16-35-26)24-29-17-22(30-24)18-7-9-20(27)10-8-18/h7-10,13,16-17,19,21H,2-6,11-12,14-15H2,1H3,(H,29,30)(H,31,34)/t21-/m0/s1
InChIKeyOEVNYXUGKVJBIX-NRFANRHFSA-N
XLogP5.00
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1-methylpiperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1-methylpiperidine-4-carboxamide (CID 155925141) is N-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)N[C@@H](CCCCCC(=O)c2nccs2)c2ncc(-c3ccc(F)cc3)[nH]2)CC1.
What is the InChIKey of N-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is OEVNYXUGKVJBIX-NRFANRHFSA-N. The full InChI is InChI=1S/C26H32FN5O2S/c1-32-14-11-19(12-15-32)25(34)31-21(5-3-2-4-6-23(33)26-28-13-16-35-26)24-29-17-22(30-24)18-7-9-20(27)10-8-18/h7-10,13,16-17,19,21H,2-6,11-12,14-15H2,1H3,(H,29,30)(H,31,34)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1-methylpiperidine-4-carboxamide?
N-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 497.64 g/mol, XLogP of 5.00, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 155925141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).