2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide

C21H25FN2O — CID 60502457

IUPAC2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCC(Cc2cccc(F)c2)CC1)c1ccccc1
InChIInChI=1S/C21H25FN2O/c1-23(20-8-3-2-4-9-20)21(25)16-24-12-10-17(11-13-24)14-18-6-5-7-19(22)15-18/h2-9,15,17H,10-14,16H2,1H3
InChIKeyJQJLGHNFIHIABX-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.74
Rot. Bonds5

About 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide

2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 60502457) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide
PubChem CID60502457
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCC(Cc2cccc(F)c2)CC1)c1ccccc1
InChIInChI=1S/C21H25FN2O/c1-23(20-8-3-2-4-9-20)21(25)16-24-12-10-17(11-13-24)14-18-6-5-7-19(22)15-18/h2-9,15,17H,10-14,16H2,1H3
InChIKeyJQJLGHNFIHIABX-UHFFFAOYSA-N
XLogP3.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 60502323
1-(azepan-1-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 60502254
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 95648491
N-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide
CID 24769365
N-methyl-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-phenylacetamide
CID 60503563
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291
2-(4-formylpiperidin-1-yl)-N-methyl-N-phenylacetamide
CID 62656804
N-(1,1-dioxothiolan-3-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 60502161
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530730
1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine
CID 75518320
N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide
CID 108998987

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide (CID 60502457) is 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide is CN(C(=O)CN1CCC(Cc2cccc(F)c2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is JQJLGHNFIHIABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-23(20-8-3-2-4-9-20)21(25)16-24-12-10-17(11-13-24)14-18-6-5-7-19(22)15-18/h2-9,15,17H,10-14,16H2,1H3.
What are the key properties of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide?
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 340.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 60502457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).