3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one

C15H19FN4O — CID 103295107

IUPAC3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNc1nc2ccc(F)cc2[nH]1)N1CCCCC1
InChIInChI=1S/C15H19FN4O/c16-11-4-5-12-13(10-11)19-15(18-12)17-7-6-14(21)20-8-2-1-3-9-20/h4-5,10H,1-3,6-9H2,(H2,17,18,19)
InChIKeyVYHUYWHWIBTOAX-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.52
Rot. Bonds4

About 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one

3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 103295107) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID103295107
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNc1nc2ccc(F)cc2[nH]1)N1CCCCC1
InChIInChI=1S/C15H19FN4O/c16-11-4-5-12-13(10-11)19-15(18-12)17-7-6-14(21)20-8-2-1-3-9-20/h4-5,10H,1-3,6-9H2,(H2,17,18,19)
InChIKeyVYHUYWHWIBTOAX-UHFFFAOYSA-N
XLogP2.52
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 103295108
2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103295091
N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide
CID 103295026
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide
CID 103294871
3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 74240102
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one
CID 137264057
3-[(7-fluoroquinolin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 154834944
6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine
CID 103295135
N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295166
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide
CID 103294870

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one (CID 103295107) is 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one is O=C(CCNc1nc2ccc(F)cc2[nH]1)N1CCCCC1.
What is the InChIKey of 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is VYHUYWHWIBTOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c16-11-4-5-12-13(10-11)19-15(18-12)17-7-6-14(21)20-8-2-1-3-9-20/h4-5,10H,1-3,6-9H2,(H2,17,18,19).
What are the key properties of 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 290.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 103295107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).