3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide

C17H25FN2O — CID 106626366

IUPAC3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
SMILESCc1cc(F)cc(C(=O)N(CC2CCCCN2)C(C)C)c1
InChIInChI=1S/C17H25FN2O/c1-12(2)20(11-16-6-4-5-7-19-16)17(21)14-8-13(3)9-15(18)10-14/h8-10,12,16,19H,4-7,11H2,1-3H3
InChIKeyYOVAJWALIQVXTQ-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.13
Rot. Bonds4

About 3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide

3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide (PubChem CID 106626366) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
PubChem CID106626366
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
SMILESCc1cc(F)cc(C(=O)N(CC2CCCCN2)C(C)C)c1
InChIInChI=1S/C17H25FN2O/c1-12(2)20(11-16-6-4-5-7-19-16)17(21)14-8-13(3)9-15(18)10-14/h8-10,12,16,19H,4-7,11H2,1-3H3
InChIKeyYOVAJWALIQVXTQ-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze 3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626473
3-bromo-5-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626571
3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626553
2-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626455
3-chloro-4-fluoro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609627
5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626603
2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626682
5-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiophene-3-carboxamide
CID 106626706
2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626462
2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylfuran-3-carboxamide
CID 106626695
4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiadiazole-5-carboxamide
CID 106626701
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626378

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide (CID 106626366) is 3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide is Cc1cc(F)cc(C(=O)N(CC2CCCCN2)C(C)C)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
The InChIKey is YOVAJWALIQVXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-12(2)20(11-16-6-4-5-7-19-16)17(21)14-8-13(3)9-15(18)10-14/h8-10,12,16,19H,4-7,11H2,1-3H3.
What are the key properties of 3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide has a molecular weight of 292.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 106626366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).