N,N-diethyl-1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide

C21H32FN3O2 — CID 86870583

IUPACN,N-diethyl-1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(C(C)C(=O)N(C)Cc2cccc(F)c2)CC1
InChIInChI=1S/C21H32FN3O2/c1-5-24(6-2)21(27)18-10-12-25(13-11-18)16(3)20(26)23(4)15-17-8-7-9-19(22)14-17/h7-9,14,16,18H,5-6,10-13,15H2,1-4H3
InChIKeyDCYFRSRDWHZKRT-UHFFFAOYSA-N
MW377.50 g/mol
LogP2.75
Rot. Bonds7

About N,N-diethyl-1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide

N,N-diethyl-1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 86870583) has the molecular formula C21H32FN3O2 and a molecular weight of 377.50 g/mol. Its IUPAC name is N,N-diethyl-1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID86870583
Molecular FormulaC21H32FN3O2
Molecular Weight377.50 g/mol
Exact Mass377.25
IUPAC NameN,N-diethyl-1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(C(C)C(=O)N(C)Cc2cccc(F)c2)CC1
InChIInChI=1S/C21H32FN3O2/c1-5-24(6-2)21(27)18-10-12-25(13-11-18)16(3)20(26)23(4)15-17-8-7-9-19(22)14-17/h7-9,14,16,18H,5-6,10-13,15H2,1-4H3
InChIKeyDCYFRSRDWHZKRT-UHFFFAOYSA-N
XLogP2.75
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 24580188
N-[(3-fluorophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 111332559
N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 146122110
N-[1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide
CID 55850902
N-[(3-fluorophenyl)methyl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpropanamide
CID 42931732
N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 46662860
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 46508539
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 87015655
(3S,4S)-1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120953902
(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8546713
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 120759439
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 86870583) is N,N-diethyl-1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(C(C)C(=O)N(C)Cc2cccc(F)c2)CC1.
What is the InChIKey of N,N-diethyl-1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is DCYFRSRDWHZKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN3O2/c1-5-24(6-2)21(27)18-10-12-25(13-11-18)16(3)20(26)23(4)15-17-8-7-9-19(22)14-17/h7-9,14,16,18H,5-6,10-13,15H2,1-4H3.
What are the key properties of N,N-diethyl-1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
N,N-diethyl-1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 377.50 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 86870583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).