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

C17H25FN2O — CID 106626455

IUPAC2-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
SMILESCc1cccc(C(=O)N(CC2CCCCN2)C(C)C)c1F
InChIInChI=1S/C17H25FN2O/c1-12(2)20(11-14-8-4-5-10-19-14)17(21)15-9-6-7-13(3)16(15)18/h6-7,9,12,14,19H,4-5,8,10-11H2,1-3H3
InChIKeyMIBWGYCEFKNFKA-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.13
Rot. Bonds4

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

2-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide (PubChem CID 106626455) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
PubChem CID106626455
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name2-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
SMILESCc1cccc(C(=O)N(CC2CCCCN2)C(C)C)c1F
InChIInChI=1S/C17H25FN2O/c1-12(2)20(11-14-8-4-5-10-19-14)17(21)15-9-6-7-13(3)16(15)18/h6-7,9,12,14,19H,4-5,8,10-11H2,1-3H3
InChIKeyMIBWGYCEFKNFKA-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

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Related Compounds

2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610027
2-bromo-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107983263
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
3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626473
3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626366
2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626682
5-bromo-2-hydroxy-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 107730032
2-fluoro-4-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609970
2-phenyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626684
3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626553
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626378

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 2-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide (CID 106626455) is 2-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide is Cc1cccc(C(=O)N(CC2CCCCN2)C(C)C)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
The InChIKey is MIBWGYCEFKNFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-12(2)20(11-14-8-4-5-10-19-14)17(21)15-9-6-7-13(3)16(15)18/h6-7,9,12,14,19H,4-5,8,10-11H2,1-3H3.
What are the key properties of 2-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
2-fluoro-3-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 2-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 106626455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).