3-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-(3-fluorophenyl)propanamide

C17H26FN3O — CID 126830524

IUPAC3-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-(3-fluorophenyl)propanamide
SMILESCN(C)C1(C)CCN(CCC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C17H26FN3O/c1-17(20(2)3)8-11-21(12-9-17)10-7-16(22)19-15-6-4-5-14(18)13-15/h4-6,13H,7-12H2,1-3H3,(H,19,22)
InChIKeyWCQVDZKPKRJNEP-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.57
Rot. Bonds5

About 3-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-(3-fluorophenyl)propanamide

3-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-(3-fluorophenyl)propanamide (PubChem CID 126830524) has the molecular formula C17H26FN3O and a molecular weight of 307.41 g/mol. Its IUPAC name is 3-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-(3-fluorophenyl)propanamide
PubChem CID126830524
Molecular FormulaC17H26FN3O
Molecular Weight307.41 g/mol
Exact Mass307.21
IUPAC Name3-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-(3-fluorophenyl)propanamide
SMILESCN(C)C1(C)CCN(CCC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C17H26FN3O/c1-17(20(2)3)8-11-21(12-9-17)10-7-16(22)19-15-6-4-5-14(18)13-15/h4-6,13H,7-12H2,1-3H3,(H,19,22)
InChIKeyWCQVDZKPKRJNEP-UHFFFAOYSA-N
XLogP2.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethynyl-4-hydroxypiperidin-1-yl)-N-(3-fluorophenyl)propanamide
CID 126824314
N-(3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 43037946
N-(3-fluorophenyl)-3-[4-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63248996
N-(3-fluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 33363762
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 740647
N-(3-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
CID 55864910
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid
CID 171154645
N-(3-acetamidophenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
CID 91831123
N-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 80702946
5-[3-(3-fluoroanilino)-3-oxopropyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 91830161
N-(3-fluorophenyl)-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
CID 46560016
3-[4-(2-ethoxyphenoxy)piperidin-1-yl]-N-(3-fluorophenyl)propanamide
CID 47532762

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-(3-fluorophenyl)propanamide (CID 126830524) is 3-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-(3-fluorophenyl)propanamide is CN(C)C1(C)CCN(CCC(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 3-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-(3-fluorophenyl)propanamide?
The InChIKey is WCQVDZKPKRJNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O/c1-17(20(2)3)8-11-21(12-9-17)10-7-16(22)19-15-6-4-5-14(18)13-15/h4-6,13H,7-12H2,1-3H3,(H,19,22).
What are the key properties of 3-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-(3-fluorophenyl)propanamide?
3-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-(3-fluorophenyl)propanamide has a molecular weight of 307.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 126830524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).