3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide

C13H17FN2O — CID 99618356

IUPAC3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide
SMILESCc1cc(F)cc(C(=O)N[C@H]2CCCNC2)c1
InChIInChI=1S/C13H17FN2O/c1-9-5-10(7-11(14)6-9)13(17)16-12-3-2-4-15-8-12/h5-7,12,15H,2-4,8H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyHGUZLNVGAMQIPI-LBPRGKRZSA-N
MW236.29 g/mol
LogP1.62
Rot. Bonds2

About 3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide

3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide (PubChem CID 99618356) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide
PubChem CID99618356
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide
SMILESCc1cc(F)cc(C(=O)N[C@H]2CCCNC2)c1
InChIInChI=1S/C13H17FN2O/c1-9-5-10(7-11(14)6-9)13(17)16-12-3-2-4-15-8-12/h5-7,12,15H,2-4,8H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyHGUZLNVGAMQIPI-LBPRGKRZSA-N
XLogP1.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429053
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555221
3-bromo-5-fluoro-N-pyrrolidin-3-ylbenzamide
CID 62380250
3,5-dimethoxy-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429058
4-fluoro-2-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 113436694
3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115923955
3,5-dimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424226
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 113341605
N-(azepan-3-yl)-3,5-dihydroxybenzamide
CID 107704994
N-piperidin-3-ylbenzamide
CID 22017045
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide?
The IUPAC name of 3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide (CID 99618356) is 3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide?
The canonical SMILES for 3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide is Cc1cc(F)cc(C(=O)N[C@H]2CCCNC2)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide?
The InChIKey is HGUZLNVGAMQIPI-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-5-10(7-11(14)6-9)13(17)16-12-3-2-4-15-8-12/h5-7,12,15H,2-4,8H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of 3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide?
3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide has a molecular weight of 236.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide is sourced from PubChem (CID 99618356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).