1-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-oxopyridine-4-carboxamide

C23H30FN3O2 — CID 72922458

IUPAC1-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-oxopyridine-4-carboxamide
SMILESCCn1ccc(C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)cc1=O
InChIInChI=1S/C23H30FN3O2/c1-3-27-14-10-20(16-22(27)28)23(29)25(2)17-19-8-12-26(13-9-19)11-7-18-5-4-6-21(24)15-18/h4-6,10,14-16,19H,3,7-9,11-13,17H2,1-2H3
InChIKeyBMPNJGCKPHKNAQ-UHFFFAOYSA-N
MW399.51 g/mol
LogP3.03
Rot. Bonds7

About 1-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-oxopyridine-4-carboxamide

1-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-oxopyridine-4-carboxamide (PubChem CID 72922458) has the molecular formula C23H30FN3O2 and a molecular weight of 399.51 g/mol. Its IUPAC name is 1-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-oxopyridine-4-carboxamide
PubChem CID72922458
Molecular FormulaC23H30FN3O2
Molecular Weight399.51 g/mol
Exact Mass399.23
IUPAC Name1-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-oxopyridine-4-carboxamide
SMILESCCn1ccc(C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)cc1=O
InChIInChI=1S/C23H30FN3O2/c1-3-27-14-10-20(16-22(27)28)23(29)25(2)17-19-8-12-26(13-9-19)11-7-18-5-4-6-21(24)15-18/h4-6,10,14-16,19H,3,7-9,11-13,17H2,1-2H3
InChIKeyBMPNJGCKPHKNAQ-UHFFFAOYSA-N
XLogP3.03
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-oxopyridine-4-carboxamide with MolForge

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Related Compounds

N-[(1-benzylpiperidin-4-yl)methyl]-1-ethyl-N-methyl-2-oxopyridine-4-carboxamide
CID 70716067
N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide
CID 72847651
N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 42528622
(2R)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,1-dimethylpiperidine-2-carboxamide
CID 42403620
1-ethyl-N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-2-oxopyridine-4-carboxamide
CID 97284046
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 42594811
N-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide
CID 24769365
3-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N,N-dimethylbenzamide
CID 10138576
(E)-but-2-enedioic acid;N-(3-fluorophenyl)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]propanamide
CID 160990544
N-methyl-2-methylsulfanyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]acetamide
CID 25455152
2-chloro-4-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenol
CID 42461723
2-(3-fluorophenyl)-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 95302178

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of 1-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-oxopyridine-4-carboxamide (CID 72922458) is 1-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-oxopyridine-4-carboxamide is CCn1ccc(C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)cc1=O.
What is the InChIKey of 1-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is BMPNJGCKPHKNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O2/c1-3-27-14-10-20(16-22(27)28)23(29)25(2)17-19-8-12-26(13-9-19)11-7-18-5-4-6-21(24)15-18/h4-6,10,14-16,19H,3,7-9,11-13,17H2,1-2H3.
What are the key properties of 1-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-oxopyridine-4-carboxamide?
1-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 399.51 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 72922458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).