4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide

C19H23FN2O2 — CID 42348231

IUPAC4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide
SMILESCc1ccc(CN2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)o1
InChIInChI=1S/C19H23FN2O2/c1-14-4-9-18(24-14)13-22-10-2-3-15(12-22)11-21-19(23)16-5-7-17(20)8-6-16/h4-9,15H,2-3,10-13H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyDMJFDHCVJRCRLC-HNNXBMFYSA-N
MW330.40 g/mol
LogP3.37
Rot. Bonds5

About 4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide

4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide (PubChem CID 42348231) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide
PubChem CID42348231
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide
SMILESCc1ccc(CN2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)o1
InChIInChI=1S/C19H23FN2O2/c1-14-4-9-18(24-14)13-22-10-2-3-15(12-22)11-21-19(23)16-5-7-17(20)8-6-16/h4-9,15H,2-3,10-13H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyDMJFDHCVJRCRLC-HNNXBMFYSA-N
XLogP3.37
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047
4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide
CID 42285901
4-fluoro-N-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 45234160
1-[(5-methylfuran-2-yl)methyl]piperidin-3-ol
CID 62022683
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
1-(4-fluorophenyl)-4-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine
CID 45167770
N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide
CID 26334003
N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 45208544
4-fluoro-N-[[(3S)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]methyl]benzamide
CID 42286302
N-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 26323586

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide (CID 42348231) is 4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide is Cc1ccc(CN2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)o1.
What is the InChIKey of 4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide?
The InChIKey is DMJFDHCVJRCRLC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-14-4-9-18(24-14)13-22-10-2-3-15(12-22)11-21-19(23)16-5-7-17(20)8-6-16/h4-9,15H,2-3,10-13H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide?
4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide has a molecular weight of 330.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 42348231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).