(2,3-dimethylpiperidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone

C17H25FN2O — CID 62659970

IUPAC(2,3-dimethylpiperidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
SMILESCCCNc1c(F)cccc1C(=O)N1CCCC(C)C1C
InChIInChI=1S/C17H25FN2O/c1-4-10-19-16-14(8-5-9-15(16)18)17(21)20-11-6-7-12(2)13(20)3/h5,8-9,12-13,19H,4,6-7,10-11H2,1-3H3
InChIKeyXCZQDVKNGRBXAX-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.91
Rot. Bonds4

About (2,3-dimethylpiperidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone

(2,3-dimethylpiperidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone (PubChem CID 62659970) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is (2,3-dimethylpiperidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
PubChem CID62659970
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name(2,3-dimethylpiperidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
SMILESCCCNc1c(F)cccc1C(=O)N1CCCC(C)C1C
InChIInChI=1S/C17H25FN2O/c1-4-10-19-16-14(8-5-9-15(16)18)17(21)20-11-6-7-12(2)13(20)3/h5,8-9,12-13,19H,4,6-7,10-11H2,1-3H3
InChIKeyXCZQDVKNGRBXAX-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 62648575
[3-fluoro-2-(propylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 62661412
(2,3-dimethylpiperidin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62179694
[2-(ethylamino)-3-fluorophenyl]-(2-methylpiperidin-1-yl)methanone
CID 62648743
(3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
CID 106673755
2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-fluorobenzoic acid
CID 81498187
[2-(ethylamino)-3-fluorophenyl]-(2-propylpiperidin-1-yl)methanone
CID 83046307
[3-fluoro-2-(propylamino)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62650348
(2,2-dimethylpyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
CID 63219093
N-cyclobutyl-3-fluoro-2-(propylamino)benzamide
CID 62662485
[5-chloro-2-(propylamino)-4-pyridinyl]-(2,3-dimethylpiperidin-1-yl)methanone
CID 114922446
(2,3-dimethylpiperidin-1-yl)-[2-(propylamino)-4-pyridinyl]methanone
CID 62181812

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone?
The IUPAC name of (2,3-dimethylpiperidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone (CID 62659970) is (2,3-dimethylpiperidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone.
What is the SMILES notation for (2,3-dimethylpiperidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone?
The canonical SMILES for (2,3-dimethylpiperidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone is CCCNc1c(F)cccc1C(=O)N1CCCC(C)C1C.
What is the InChIKey of (2,3-dimethylpiperidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone?
The InChIKey is XCZQDVKNGRBXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-4-10-19-16-14(8-5-9-15(16)18)17(21)20-11-6-7-12(2)13(20)3/h5,8-9,12-13,19H,4,6-7,10-11H2,1-3H3.
What are the key properties of (2,3-dimethylpiperidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone?
(2,3-dimethylpiperidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone has a molecular weight of 292.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone is sourced from PubChem (CID 62659970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).