4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide

C16H23FN2O2 — CID 107016147

IUPAC4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCNC1)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C16H23FN2O2/c1-2-8-19(11-12-4-3-7-18-10-12)16(21)14-6-5-13(17)9-15(14)20/h5-6,9,12,18,20H,2-4,7-8,10-11H2,1H3
InChIKeyARNBARGXWFEBMO-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.38
Rot. Bonds5

About 4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide

4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide (PubChem CID 107016147) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
PubChem CID107016147
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCNC1)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C16H23FN2O2/c1-2-8-19(11-12-4-3-7-18-10-12)16(21)14-6-5-13(17)9-15(14)20/h5-6,9,12,18,20H,2-4,7-8,10-11H2,1H3
InChIKeyARNBARGXWFEBMO-UHFFFAOYSA-N
XLogP2.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628169
2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628436
N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-hydroxybenzamide
CID 107399082
4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 107990973
2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide
CID 107963808
5-fluoro-N,2-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627610
5-methyl-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrazole-3-carboxamide
CID 106628456
4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
CID 106628202
6-methyl-N-(piperidin-3-ylmethyl)-N-propylpyridine-2-carboxamide
CID 106628314
5-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106628225
4-fluoro-2-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107016129
2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide
CID 60669039

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide (CID 107016147) is 4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide is CCCN(CC1CCCNC1)C(=O)c1ccc(F)cc1O.
What is the InChIKey of 4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide?
The InChIKey is ARNBARGXWFEBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-2-8-19(11-12-4-3-7-18-10-12)16(21)14-6-5-13(17)9-15(14)20/h5-6,9,12,18,20H,2-4,7-8,10-11H2,1H3.
What are the key properties of 4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide?
4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide has a molecular weight of 294.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide is sourced from PubChem (CID 107016147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).