4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide

C16H21FN2O2 — CID 94460063

IUPAC4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide
SMILESC[C@H]1CCCCN1C(=O)CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O2/c1-12-4-2-3-11-19(12)15(20)9-10-18-16(21)13-5-7-14(17)8-6-13/h5-8,12H,2-4,9-11H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyCGTQDGNMIRZFIH-LBPRGKRZSA-N
MW292.35 g/mol
LogP2.35
Rot. Bonds4

About 4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide

4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide (PubChem CID 94460063) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide
PubChem CID94460063
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide
SMILESC[C@H]1CCCCN1C(=O)CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O2/c1-12-4-2-3-11-19(12)15(20)9-10-18-16(21)13-5-7-14(17)8-6-13/h5-8,12H,2-4,9-11H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyCGTQDGNMIRZFIH-LBPRGKRZSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(4-fluorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxamide
CID 75592631
N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide
CID 95272247
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide
CID 119489602
4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 51147871
2,5-dimethyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide
CID 97465255
N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]-4-fluorobenzamide
CID 119631800
4-fluoro-N-[3-methyl-1-(2-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzamide
CID 51145484
4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide
CID 97201295
N-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-4-chlorobenzamide
CID 26178024
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 119468998
4-bromo-N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride
CID 119472846

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide (CID 94460063) is 4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide is C[C@H]1CCCCN1C(=O)CCNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide?
The InChIKey is CGTQDGNMIRZFIH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-12-4-2-3-11-19(12)15(20)9-10-18-16(21)13-5-7-14(17)8-6-13/h5-8,12H,2-4,9-11H2,1H3,(H,18,21)/t12-/m0/s1.
What are the key properties of 4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide?
4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide has a molecular weight of 292.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 94460063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).