4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride

C17H26ClFN2O — CID 120576912

IUPAC4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
SMILESCC(CCc1ccccc1F)C(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-12(9-10-14-6-3-4-7-15(14)18)17(21)20-16-8-5-11-19-13(16)2;/h3-4,6-7,12-13,16,19H,5,8-11H2,1-2H3,(H,20,21);1H
InChIKeyPSLJTCZIFCVRQO-UHFFFAOYSA-N
MW328.86 g/mol
LogP3.07
Rot. Bonds5

About 4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride

4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride (PubChem CID 120576912) has the molecular formula C17H26ClFN2O and a molecular weight of 328.86 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
PubChem CID120576912
Molecular FormulaC17H26ClFN2O
Molecular Weight328.86 g/mol
Exact Mass328.17
IUPAC Name4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
SMILESCC(CCc1ccccc1F)C(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-12(9-10-14-6-3-4-7-15(14)18)17(21)20-16-8-5-11-19-13(16)2;/h3-4,6-7,12-13,16,19H,5,8-11H2,1-2H3,(H,20,21);1H
InChIKeyPSLJTCZIFCVRQO-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119510877
2-(2,3-difluorophenyl)-N-[(2S,3R)-2-methylpiperidin-3-yl]acetamide
CID 124517154
2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide
CID 130763419
2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120577893
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
2-methyl-N-(2-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 120575190
2-[(2-fluorophenyl)methyl]-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120576827
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120573776
2-methyl-N-[4-methyl-1-[(2-methylpiperidin-3-yl)amino]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 120577941
2-ethoxy-N-(2-methylpiperidin-3-yl)-2-phenylacetamide
CID 120573497
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120573777
2-(2,4-difluorophenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120573566

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride?
The IUPAC name of 4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride (CID 120576912) is 4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride?
The canonical SMILES for 4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride is CC(CCc1ccccc1F)C(=O)NC1CCCNC1C.Cl.
What is the InChIKey of 4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride?
The InChIKey is PSLJTCZIFCVRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O.ClH/c1-12(9-10-14-6-3-4-7-15(14)18)17(21)20-16-8-5-11-19-13(16)2;/h3-4,6-7,12-13,16,19H,5,8-11H2,1-2H3,(H,20,21);1H.
What are the key properties of 4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride?
4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride has a molecular weight of 328.86 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride is sourced from PubChem (CID 120576912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).