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

C17H25FN2O — CID 106625701

IUPAC4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCCN1)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C17H25FN2O/c1-3-10-20(12-15-6-4-5-9-19-15)17(21)14-7-8-16(18)13(2)11-14/h7-8,11,15,19H,3-6,9-10,12H2,1-2H3
InChIKeyVNNTVUFGGDTSCJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.13
Rot. Bonds5

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

4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide (PubChem CID 106625701) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
PubChem CID106625701
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCCN1)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C17H25FN2O/c1-3-10-20(12-15-6-4-5-9-19-15)17(21)14-7-8-16(18)13(2)11-14/h7-8,11,15,19H,3-6,9-10,12H2,1-2H3
InChIKeyVNNTVUFGGDTSCJ-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422
4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611187
3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625495
2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625849
5-methyl-N-(piperidin-2-ylmethyl)-N-propylfuran-3-carboxamide
CID 106625551
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610518
N-(piperidin-2-ylmethyl)-N-propylpyridine-4-carboxamide
CID 106625818
N-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide
CID 106625552
4-fluoro-3-methyl-N,N-dipropylbenzamide
CID 63212171
4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 106626185
2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106753772
5-fluoro-2-hydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625545

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
The IUPAC name of 4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide (CID 106625701) is 4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide is CCCN(CC1CCCCN1)C(=O)c1ccc(F)c(C)c1.
What is the InChIKey of 4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
The InChIKey is VNNTVUFGGDTSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-3-10-20(12-15-6-4-5-9-19-15)17(21)14-7-8-16(18)13(2)11-14/h7-8,11,15,19H,3-6,9-10,12H2,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide has a molecular weight of 292.40 g/mol, XLogP of 3.13, 5 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-2-ylmethyl)-N-propylbenzamide is sourced from PubChem (CID 106625701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).