2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide

C21H25FN2O — CID 100637147

IUPAC2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide
SMILESC[C@H]1CCCN(c2ccc(CNC(=O)Cc3ccccc3F)cc2)C1
InChIInChI=1S/C21H25FN2O/c1-16-5-4-12-24(15-16)19-10-8-17(9-11-19)14-23-21(25)13-18-6-2-3-7-20(18)22/h2-3,6-11,16H,4-5,12-15H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyULOPXEZLFHLQIY-INIZCTEOSA-N
MW340.44 g/mol
LogP3.92
Rot. Bonds5

About 2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide

2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide (PubChem CID 100637147) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide
PubChem CID100637147
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide
SMILESC[C@H]1CCCN(c2ccc(CNC(=O)Cc3ccccc3F)cc2)C1
InChIInChI=1S/C21H25FN2O/c1-16-5-4-12-24(15-16)19-10-8-17(9-11-19)14-23-21(25)13-18-6-2-3-7-20(18)22/h2-3,6-11,16H,4-5,12-15H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyULOPXEZLFHLQIY-INIZCTEOSA-N
XLogP3.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-thiophen-2-ylacetamide
CID 73253664
N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide
CID 100610781
1-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-3-phenylurea
CID 56923040
2-(5-acetylthiophen-3-yl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide
CID 86284843
3-(2-fluorophenyl)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 100513980
N-benzyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109187875
(3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
CID 94531394
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 133190114
(2R)-2-[methyl(methylsulfonyl)amino]-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-phenylacetamide
CID 125049780
(2S)-2-[methyl(methylsulfonyl)amino]-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-phenylacetamide
CID 125049776
N-[(2-fluorophenyl)methyl]-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975681
3-(2-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56556359

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide (CID 100637147) is 2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide is C[C@H]1CCCN(c2ccc(CNC(=O)Cc3ccccc3F)cc2)C1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide?
The InChIKey is ULOPXEZLFHLQIY-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-16-5-4-12-24(15-16)19-10-8-17(9-11-19)14-23-21(25)13-18-6-2-3-7-20(18)22/h2-3,6-11,16H,4-5,12-15H2,1H3,(H,23,25)/t16-/m0/s1.
What are the key properties of 2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide?
2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide has a molecular weight of 340.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 100637147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).