4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide

C14H19FN2OS — CID 107026989

IUPAC4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
SMILESCN1CCCC(CNC(=O)c2ccc(F)c(S)c2)C1
InChIInChI=1S/C14H19FN2OS/c1-17-6-2-3-10(9-17)8-16-14(18)11-4-5-12(15)13(19)7-11/h4-5,7,10,19H,2-3,6,8-9H2,1H3,(H,16,18)
InChIKeyRPAWQSPAYISPAG-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.19
Rot. Bonds3

About 4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide

4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide (PubChem CID 107026989) has the molecular formula C14H19FN2OS and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
PubChem CID107026989
Molecular FormulaC14H19FN2OS
Molecular Weight282.38 g/mol
Exact Mass282.12
IUPAC Name4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
SMILESCN1CCCC(CNC(=O)c2ccc(F)c(S)c2)C1
InChIInChI=1S/C14H19FN2OS/c1-17-6-2-3-10(9-17)8-16-14(18)11-4-5-12(15)13(19)7-11/h4-5,7,10,19H,2-3,6,8-9H2,1H3,(H,16,18)
InChIKeyRPAWQSPAYISPAG-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026999
4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide
CID 107031927
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107021319
3-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]-4-nitrobenzamide
CID 62681454
4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62682426
N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
CID 55163457
2-bromo-4-chloro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 103765330
N-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide
CID 56712999
4-amino-3,5-difluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63184925
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955
4-bromo-3-chloro-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]benzamide
CID 124572243
5-amino-2-bromo-4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 62815794

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide?
The IUPAC name of 4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide (CID 107026989) is 4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide.
What is the SMILES notation for 4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide?
The canonical SMILES for 4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide is CN1CCCC(CNC(=O)c2ccc(F)c(S)c2)C1.
What is the InChIKey of 4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide?
The InChIKey is RPAWQSPAYISPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2OS/c1-17-6-2-3-10(9-17)8-16-14(18)11-4-5-12(15)13(19)7-11/h4-5,7,10,19H,2-3,6,8-9H2,1H3,(H,16,18).
What are the key properties of 4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide?
4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide has a molecular weight of 282.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide is sourced from PubChem (CID 107026989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).