4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide

C16H23FN2O — CID 63209531

IUPAC4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(F)c(C)c1)C1CCCNC1
InChIInChI=1S/C16H23FN2O/c1-3-9-19(14-5-4-8-18-11-14)16(20)13-6-7-15(17)12(2)10-13/h6-7,10,14,18H,3-5,8-9,11H2,1-2H3
InChIKeyICTWMQJFPZASAD-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.74
Rot. Bonds4

About 4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide

4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide (PubChem CID 63209531) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide
PubChem CID63209531
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(F)c(C)c1)C1CCCNC1
InChIInChI=1S/C16H23FN2O/c1-3-9-19(14-5-4-8-18-11-14)16(20)13-6-7-15(17)12(2)10-13/h6-7,10,14,18H,3-5,8-9,11H2,1-2H3
InChIKeyICTWMQJFPZASAD-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 63050163
N-piperidin-3-yl-N-propyl-1H-indole-6-carboxamide
CID 63748800
N-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide
CID 60807585
N-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide
CID 66215454
6-oxo-N-piperidin-3-yl-N-propyl-1H-pyridine-3-carboxamide
CID 55246260
N-piperidin-3-yl-N-propyl-1H-indazole-6-carboxamide
CID 62921435
N-(azetidin-3-yl)-3-bromo-4-fluoro-N-propylbenzamide
CID 107956199
6-oxo-N-piperidin-3-yl-N-propylpyran-3-carboxamide
CID 63637793
3-methyl-N-piperidin-3-yl-N-propylthiophene-2-carboxamide
CID 63636574
N-piperidin-3-yl-N-propylthiophene-3-carboxamide
CID 55246454
5-fluoro-N-piperidin-3-yl-N-propylpyridine-2-carboxamide
CID 104639262
5-chloro-2-hydroxy-N-piperidin-3-yl-N-propylbenzamide
CID 63636752

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide?
The IUPAC name of 4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide (CID 63209531) is 4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide is CCCN(C(=O)c1ccc(F)c(C)c1)C1CCCNC1.
What is the InChIKey of 4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide?
The InChIKey is ICTWMQJFPZASAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-3-9-19(14-5-4-8-18-11-14)16(20)13-6-7-15(17)12(2)10-13/h6-7,10,14,18H,3-5,8-9,11H2,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide?
4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide has a molecular weight of 278.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide is sourced from PubChem (CID 63209531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).