[4-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone

C15H22FN3O — CID 62660653

IUPAC[4-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone
SMILESCNc1c(F)cccc1C(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C15H22FN3O/c1-17-14-12(5-4-6-13(14)16)15(20)19-9-7-11(8-10-19)18(2)3/h4-6,11,17H,7-10H2,1-3H3
InChIKeyDLHIUIRAUNPKOD-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.03
Rot. Bonds3

About [4-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone

[4-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone (PubChem CID 62660653) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is [4-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone
PubChem CID62660653
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name[4-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone
SMILESCNc1c(F)cccc1C(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C15H22FN3O/c1-17-14-12(5-4-6-13(14)16)15(20)19-9-7-11(8-10-19)18(2)3/h4-6,11,17H,7-10H2,1-3H3
InChIKeyDLHIUIRAUNPKOD-UHFFFAOYSA-N
XLogP2.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone
CID 62649265
[3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-3-fluorophenyl]methanone
CID 63174935
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone
CID 81475543
[3-fluoro-2-(methylamino)phenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628632
(2-cyclopentylpyrrolidin-1-yl)-[3-fluoro-2-(methylamino)phenyl]methanone
CID 62660514
2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-fluorobenzoic acid
CID 81497654
[4-(dimethylamino)piperidin-1-yl]-(2-hydrazinylphenyl)methanone
CID 62243252
N-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62661525
(5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43585610
(2,6-dihydroxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 103890281
(2-bromo-3-fluorophenyl)-[3-(dimethylamino)azetidin-1-yl]methanone
CID 172646777
[2-(ethylamino)-3-fluorophenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63979240

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone?
The IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone (CID 62660653) is [4-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone.
What is the SMILES notation for [4-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone?
The canonical SMILES for [4-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone is CNc1c(F)cccc1C(=O)N1CCC(N(C)C)CC1.
What is the InChIKey of [4-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone?
The InChIKey is DLHIUIRAUNPKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-17-14-12(5-4-6-13(14)16)15(20)19-9-7-11(8-10-19)18(2)3/h4-6,11,17H,7-10H2,1-3H3.
What are the key properties of [4-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone?
[4-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone has a molecular weight of 279.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone is sourced from PubChem (CID 62660653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).