4-fluoro-N-[[(3R)-1-pent-4-enoylpiperidin-3-yl]methyl]benzamide

C18H23FN2O2 — CID 25479373

IUPAC4-fluoro-N-[[(3R)-1-pent-4-enoylpiperidin-3-yl]methyl]benzamide
SMILESC=CCCC(=O)N1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN2O2/c1-2-3-6-17(22)21-11-4-5-14(13-21)12-20-18(23)15-7-9-16(19)10-8-15/h2,7-10,14H,1,3-6,11-13H2,(H,20,23)/t14-/m1/s1
InChIKeyMLZSUOQDOAMKMM-CQSZACIVSA-N
MW318.39 g/mol
LogP2.76
Rot. Bonds6

About 4-fluoro-N-[[(3R)-1-pent-4-enoylpiperidin-3-yl]methyl]benzamide

4-fluoro-N-[[(3R)-1-pent-4-enoylpiperidin-3-yl]methyl]benzamide (PubChem CID 25479373) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 4-fluoro-N-[[(3R)-1-pent-4-enoylpiperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[(3R)-1-pent-4-enoylpiperidin-3-yl]methyl]benzamide
PubChem CID25479373
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name4-fluoro-N-[[(3R)-1-pent-4-enoylpiperidin-3-yl]methyl]benzamide
SMILESC=CCCC(=O)N1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN2O2/c1-2-3-6-17(22)21-11-4-5-14(13-21)12-20-18(23)15-7-9-16(19)10-8-15/h2,7-10,14H,1,3-6,11-13H2,(H,20,23)/t14-/m1/s1
InChIKeyMLZSUOQDOAMKMM-CQSZACIVSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 26323586
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
4-fluoro-N-[[(3S)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]methyl]benzamide
CID 42210535
4-fluoro-N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]benzamide
CID 110903798
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-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 24790363
4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide
CID 42356810
4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide
CID 42592562
N-[[(3R)-1-[2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetyl]piperidin-3-yl]methyl]-4-fluorobenzamide
CID 136831912
4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 25481314

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(3R)-1-pent-4-enoylpiperidin-3-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[(3R)-1-pent-4-enoylpiperidin-3-yl]methyl]benzamide (CID 25479373) is 4-fluoro-N-[[(3R)-1-pent-4-enoylpiperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[(3R)-1-pent-4-enoylpiperidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[(3R)-1-pent-4-enoylpiperidin-3-yl]methyl]benzamide is C=CCCC(=O)N1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 4-fluoro-N-[[(3R)-1-pent-4-enoylpiperidin-3-yl]methyl]benzamide?
The InChIKey is MLZSUOQDOAMKMM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-2-3-6-17(22)21-11-4-5-14(13-21)12-20-18(23)15-7-9-16(19)10-8-15/h2,7-10,14H,1,3-6,11-13H2,(H,20,23)/t14-/m1/s1.
What are the key properties of 4-fluoro-N-[[(3R)-1-pent-4-enoylpiperidin-3-yl]methyl]benzamide?
4-fluoro-N-[[(3R)-1-pent-4-enoylpiperidin-3-yl]methyl]benzamide has a molecular weight of 318.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(3R)-1-pent-4-enoylpiperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 25479373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).