2-fluoro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide

C17H25FN4O — CID 166030730

IUPAC2-fluoro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC2CN(C3CCNCC3)C2)cc1F
InChIInChI=1S/C17H25FN4O/c1-21(2)17(23)15-4-3-12(9-16(15)18)20-13-10-22(11-13)14-5-7-19-8-6-14/h3-4,9,13-14,19-20H,5-8,10-11H2,1-2H3
InChIKeyVSXJNBYKOICGDB-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.38
Rot. Bonds4

About 2-fluoro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide

2-fluoro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide (PubChem CID 166030730) has the molecular formula C17H25FN4O and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide
PubChem CID166030730
Molecular FormulaC17H25FN4O
Molecular Weight320.41 g/mol
Exact Mass320.20
IUPAC Name2-fluoro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC2CN(C3CCNCC3)C2)cc1F
InChIInChI=1S/C17H25FN4O/c1-21(2)17(23)15-4-3-12(9-16(15)18)20-13-10-22(11-13)14-5-7-19-8-6-14/h3-4,9,13-14,19-20H,5-8,10-11H2,1-2H3
InChIKeyVSXJNBYKOICGDB-UHFFFAOYSA-N
XLogP1.38
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride
CID 166030777
4-(azetidin-3-ylamino)-2-fluoro-N,N-dimethylbenzamide
CID 166030505
2-chloro-N,N-dimethyl-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide
CID 166030988
4-[[1-(azetidin-3-yl)azetidin-3-yl]amino]-2-chloro-N,N-dimethylbenzamide
CID 166030872
2-chloro-N,N-dimethyl-4-[methyl-(1-piperidin-4-ylazetidin-3-yl)amino]benzamide
CID 166030852
[2-chloro-4-[(1-piperidin-4-ylazetidin-3-yl)amino]phenyl]-morpholin-4-ylmethanone;hydrochloride
CID 172748552
2-chloro-N,N-dimethyl-4-[[1-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidin-4-yl]azetidin-3-yl]amino]benzamide
CID 166030737
2-chloro-4-[[1-[1-[(2S)-2-hydroxy-2,3-dimethylbutanoyl]piperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide;sulfane
CID 167587543
2-fluoro-4-[(1-methylpiperidin-3-yl)amino]benzoic acid
CID 113319762
2-chloro-4-[[1-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide
CID 166085122
2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443342
2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715450

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide?
The IUPAC name of 2-fluoro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide (CID 166030730) is 2-fluoro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide?
The canonical SMILES for 2-fluoro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide is CN(C)C(=O)c1ccc(NC2CN(C3CCNCC3)C2)cc1F.
What is the InChIKey of 2-fluoro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide?
The InChIKey is VSXJNBYKOICGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O/c1-21(2)17(23)15-4-3-12(9-16(15)18)20-13-10-22(11-13)14-5-7-19-8-6-14/h3-4,9,13-14,19-20H,5-8,10-11H2,1-2H3.
What are the key properties of 2-fluoro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide?
2-fluoro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide has a molecular weight of 320.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide is sourced from PubChem (CID 166030730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).