(4-aminopiperidin-1-yl)-(6-fluoro-1H-benzimidazol-4-yl)methanone

C13H15FN4O — CID 119372809

IUPAC(4-aminopiperidin-1-yl)-(6-fluoro-1H-benzimidazol-4-yl)methanone
SMILESNC1CCN(C(=O)c2cc(F)cc3[nH]cnc23)CC1
InChIInChI=1S/C13H15FN4O/c14-8-5-10(12-11(6-8)16-7-17-12)13(19)18-3-1-9(15)2-4-18/h5-7,9H,1-4,15H2,(H,16,17)
InChIKeyUJVBDSMLWRVYPM-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.27
Rot. Bonds1

About (4-aminopiperidin-1-yl)-(6-fluoro-1H-benzimidazol-4-yl)methanone

(4-aminopiperidin-1-yl)-(6-fluoro-1H-benzimidazol-4-yl)methanone (PubChem CID 119372809) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(6-fluoro-1H-benzimidazol-4-yl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(6-fluoro-1H-benzimidazol-4-yl)methanone
PubChem CID119372809
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name(4-aminopiperidin-1-yl)-(6-fluoro-1H-benzimidazol-4-yl)methanone
SMILESNC1CCN(C(=O)c2cc(F)cc3[nH]cnc23)CC1
InChIInChI=1S/C13H15FN4O/c14-8-5-10(12-11(6-8)16-7-17-12)13(19)18-3-1-9(15)2-4-18/h5-7,9H,1-4,15H2,(H,16,17)
InChIKeyUJVBDSMLWRVYPM-UHFFFAOYSA-N
XLogP1.27
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4-aminopiperidin-1-yl)-(6-fluoro-1H-benzimidazol-4-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

(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
(6-fluoro-1H-benzimidazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119394746
(3S,4S)-1-(6-fluoro-1H-benzimidazole-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120953397
(6-fluoro-1H-benzimidazol-4-yl)-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone
CID 95345286
(3R,4R)-4-cyclopropyl-1-(6-fluoro-1H-benzimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120979753
(6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427532
(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)-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone
CID 167915847
(6-fluoro-1H-benzimidazol-4-yl)-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129352241
(6-fluoro-1H-benzimidazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95354406
methyl 2-[4-(6-fluoro-1H-benzimidazole-4-carbonyl)-7-oxa-4-azaspiro[2.5]octan-6-yl]acetate
CID 155961886

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(6-fluoro-1H-benzimidazol-4-yl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(6-fluoro-1H-benzimidazol-4-yl)methanone (CID 119372809) is (4-aminopiperidin-1-yl)-(6-fluoro-1H-benzimidazol-4-yl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(6-fluoro-1H-benzimidazol-4-yl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(6-fluoro-1H-benzimidazol-4-yl)methanone is NC1CCN(C(=O)c2cc(F)cc3[nH]cnc23)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(6-fluoro-1H-benzimidazol-4-yl)methanone?
The InChIKey is UJVBDSMLWRVYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-8-5-10(12-11(6-8)16-7-17-12)13(19)18-3-1-9(15)2-4-18/h5-7,9H,1-4,15H2,(H,16,17).
What are the key properties of (4-aminopiperidin-1-yl)-(6-fluoro-1H-benzimidazol-4-yl)methanone?
(4-aminopiperidin-1-yl)-(6-fluoro-1H-benzimidazol-4-yl)methanone has a molecular weight of 262.29 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(6-fluoro-1H-benzimidazol-4-yl)methanone is sourced from PubChem (CID 119372809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).