N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C17H19FN6O — CID 120941709

IUPACN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(NCc1nc2ccc(F)cc2[nH]1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H19FN6O/c18-12-2-3-13-14(10-12)23-15(22-13)11-20-16(25)17(4-7-19-8-5-17)24-9-1-6-21-24/h1-3,6,9-10,19H,4-5,7-8,11H2,(H,20,25)(H,22,23)
InChIKeyYZCGBLPOJSMWGW-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.29
Rot. Bonds4

About N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120941709) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120941709
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(NCc1nc2ccc(F)cc2[nH]1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H19FN6O/c18-12-2-3-13-14(10-12)23-15(22-13)11-20-16(25)17(4-7-19-8-5-17)24-9-1-6-21-24/h1-3,6,9-10,19H,4-5,7-8,11H2,(H,20,25)(H,22,23)
InChIKeyYZCGBLPOJSMWGW-UHFFFAOYSA-N
XLogP1.29
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide with MolForge

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Related Compounds

1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 119885393
N-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923697
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120920271
N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923913
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119885405
N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923550
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 86283839
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 71867281
N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120920936
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919192
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
CID 119885402

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120941709) is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is O=C(NCc1nc2ccc(F)cc2[nH]1)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is YZCGBLPOJSMWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c18-12-2-3-13-14(10-12)23-15(22-13)11-20-16(25)17(4-7-19-8-5-17)24-9-1-6-21-24/h1-3,6,9-10,19H,4-5,7-8,11H2,(H,20,25)(H,22,23).
What are the key properties of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120941709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).