N,N-diethyl-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide

C17H25FN2O — CID 2838041

IUPACN,N-diethyl-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C17H25FN2O/c1-3-20(4-2)17(21)15-8-6-10-19(13-15)12-14-7-5-9-16(18)11-14/h5,7,9,11,15H,3-4,6,8,10,12-13H2,1-2H3
InChIKeyHLMFFJLTLCAFPU-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.91
Rot. Bonds5

About N,N-diethyl-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide

N,N-diethyl-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 2838041) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N,N-diethyl-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID2838041
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN,N-diethyl-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C17H25FN2O/c1-3-20(4-2)17(21)15-8-6-10-19(13-15)12-14-7-5-9-16(18)11-14/h5,7,9,11,15H,3-4,6,8,10,12-13H2,1-2H3
InChIKeyHLMFFJLTLCAFPU-UHFFFAOYSA-N
XLogP2.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
2,8-Dibenzyl-2,8-diazaspiro[5.5]undecane-1,7-dione
CID 1043268
N-(4-fluorobenzyl)pentanamide
CID 1741622
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851900
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851914
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
1-Benzylpiperidine-2,4-dione
CID 22495541
3-Methyl-1-[4-(4-methyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 742522
(2-Fluorophenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 754219
3-Methyl-1-[4-(2-methyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 773338
N,N'-Dibenzyl-N,N'-dimethyl-malonamide
CID 2392235
1-(2-Fluorobenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine oxalate
CID 2933676

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide (CID 2838041) is N,N-diethyl-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(Cc2cccc(F)c2)C1.
What is the InChIKey of N,N-diethyl-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is HLMFFJLTLCAFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-3-20(4-2)17(21)15-8-6-10-19(13-15)12-14-7-5-9-16(18)11-14/h5,7,9,11,15H,3-4,6,8,10,12-13H2,1-2H3.
What are the key properties of N,N-diethyl-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
N,N-diethyl-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 2838041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).