4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide

C17H25FN2OS — CID 42285901

IUPAC4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide
SMILESCSCCCN1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H25FN2OS/c1-22-11-3-10-20-9-2-4-14(13-20)12-19-17(21)15-5-7-16(18)8-6-15/h5-8,14H,2-4,9-13H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyPDKIEUSEGOLWGD-CQSZACIVSA-N
MW324.46 g/mol
LogP3.02
Rot. Bonds7

About 4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide

4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide (PubChem CID 42285901) has the molecular formula C17H25FN2OS and a molecular weight of 324.46 g/mol. Its IUPAC name is 4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide
PubChem CID42285901
Molecular FormulaC17H25FN2OS
Molecular Weight324.46 g/mol
Exact Mass324.17
IUPAC Name4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide
SMILESCSCCCN1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H25FN2OS/c1-22-11-3-10-20-9-2-4-14(13-20)12-19-17(21)15-5-7-16(18)8-6-15/h5-8,14H,2-4,9-13H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyPDKIEUSEGOLWGD-CQSZACIVSA-N
XLogP3.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 25458195
4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 42348231
4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047
4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide
CID 42592562
1-(4-chlorophenyl)-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 42401799
methyl 4-[(3R)-3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 42157752
methyl 4-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 24817518
N-[[(3R)-1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-3-yl]methyl]-4-fluorobenzamide
CID 97283723
N-[[1-(4-methylsulfanylbutyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 103089534
4-fluoro-N-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 45234160
N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 45208544
N-[[(3R)-1-propylpiperidin-3-yl]methyl]-4-sulfamoylbenzamide
CID 95215747

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide (CID 42285901) is 4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide is CSCCCN1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is PDKIEUSEGOLWGD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25FN2OS/c1-22-11-3-10-20-9-2-4-14(13-20)12-19-17(21)15-5-7-16(18)8-6-15/h5-8,14H,2-4,9-13H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide?
4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 324.46 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 42285901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).