(6-fluoro-1H-benzimidazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

C15H19FN4O — CID 119394746

IUPAC(6-fluoro-1H-benzimidazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2cc(F)cc3[nH]cnc23)C1
InChIInChI=1S/C15H19FN4O/c1-17-7-10-3-2-4-20(8-10)15(21)12-5-11(16)6-13-14(12)19-9-18-13/h5-6,9-10,17H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyOLDAJZXIFWPFMR-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.77
Rot. Bonds3

About (6-fluoro-1H-benzimidazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

(6-fluoro-1H-benzimidazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119394746) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is (6-fluoro-1H-benzimidazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-1H-benzimidazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119394746
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name(6-fluoro-1H-benzimidazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2cc(F)cc3[nH]cnc23)C1
InChIInChI=1S/C15H19FN4O/c1-17-7-10-3-2-4-20(8-10)15(21)12-5-11(16)6-13-14(12)19-9-18-13/h5-6,9-10,17H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyOLDAJZXIFWPFMR-UHFFFAOYSA-N
XLogP1.77
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6-fluoro-1H-benzimidazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119542588
(6-fluoro-1H-benzimidazol-4-yl)-(3-methylpiperazin-1-yl)methanone
CID 119576176
[3-(methylaminomethyl)piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone;hydrochloride
CID 119396984
[3-(methylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119398801
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205270
(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540009
(5-fluoro-2-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398683
(4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone
CID 124687008
(6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427531
(6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427532
[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397492

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-benzimidazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (6-fluoro-1H-benzimidazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (CID 119394746) is (6-fluoro-1H-benzimidazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-fluoro-1H-benzimidazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (6-fluoro-1H-benzimidazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCN(C(=O)c2cc(F)cc3[nH]cnc23)C1.
What is the InChIKey of (6-fluoro-1H-benzimidazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is OLDAJZXIFWPFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-17-7-10-3-2-4-20(8-10)15(21)12-5-11(16)6-13-14(12)19-9-18-13/h5-6,9-10,17H,2-4,7-8H2,1H3,(H,18,19).
What are the key properties of (6-fluoro-1H-benzimidazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
(6-fluoro-1H-benzimidazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 290.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1H-benzimidazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119394746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).