1-[[6-[(2Z)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylpiperidine-4-carboxamide

C18H26FN3O4S — CID 163448208

IUPAC1-[[6-[(2Z)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCC/C(=C/F)COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)C)CC2)cn1
InChIInChI=1S/C18H26FN3O4S/c1-4-14(11-19)13-26-17-6-5-16(12-20-17)27(24,25)22-9-7-15(8-10-22)18(23)21(2)3/h5-6,11-12,15H,4,7-10,13H2,1-3H3/b14-11-
InChIKeyLFURXGONOIKVBH-KAMYIIQDSA-N
MW399.49 g/mol
LogP2.21
Rot. Bonds7

About 1-[[6-[(2Z)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylpiperidine-4-carboxamide

1-[[6-[(2Z)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 163448208) has the molecular formula C18H26FN3O4S and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-[[6-[(2Z)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[6-[(2Z)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID163448208
Molecular FormulaC18H26FN3O4S
Molecular Weight399.49 g/mol
Exact Mass399.16
IUPAC Name1-[[6-[(2Z)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCC/C(=C/F)COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)C)CC2)cn1
InChIInChI=1S/C18H26FN3O4S/c1-4-14(11-19)13-26-17-6-5-16(12-20-17)27(24,25)22-9-7-15(8-10-22)18(23)21(2)3/h5-6,11-12,15H,4,7-10,13H2,1-3H3/b14-11-
InChIKeyLFURXGONOIKVBH-KAMYIIQDSA-N
XLogP2.21
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-2-[[5-[4-[1-(dimethylamino)ethenyl]piperidin-1-yl]sulfonyl-2-pyridinyl]oxymethyl]-3-fluoro-N-methylprop-2-en-1-amine
CID 170219565
1-[1-[[6-[(2Z)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]-3-methylimidazolidin-2-one
CID 163448210
1-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-N-methylpiperidine-4-carboxamide
CID 153082382
[1-[[6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]-(azetidin-1-yl)methanone
CID 162482233
N-cyclopropyl-1-[[6-[(E)-3-fluoro-2-(methylaminomethyl)prop-2-enoxy]-3-pyridinyl]sulfonyl]piperidine-4-carboxamide
CID 174190446
2-[1-[[6-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]acetic acid
CID 156769145
methyl 1-[[6-[(E)-3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoxy]-3-pyridinyl]sulfonyl]piperidine-4-carboxylate
CID 166843323
2-[1-[[6-[3-fluoro-2-[[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]methyl]prop-2-enoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]acetic acid
CID 163719884
(1S,5R)-3-[[6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 162482212
1-[[6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-4-methyl-N-(oxan-4-yl)piperidine-4-carboxamide
CID 149335348
1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 135356590
2-ethoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268013

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(2Z)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[[6-[(2Z)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylpiperidine-4-carboxamide (CID 163448208) is 1-[[6-[(2Z)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[6-[(2Z)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[6-[(2Z)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylpiperidine-4-carboxamide is CC/C(=C/F)COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)C)CC2)cn1.
What is the InChIKey of 1-[[6-[(2Z)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is LFURXGONOIKVBH-KAMYIIQDSA-N. The full InChI is InChI=1S/C18H26FN3O4S/c1-4-14(11-19)13-26-17-6-5-16(12-20-17)27(24,25)22-9-7-15(8-10-22)18(23)21(2)3/h5-6,11-12,15H,4,7-10,13H2,1-3H3/b14-11-.
What are the key properties of 1-[[6-[(2Z)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[[6-[(2Z)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(2Z)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 163448208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).