N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide

C21H27FN4O2 — CID 24816994

IUPACN-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
SMILESCCN(CCn1cccn1)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C21H27FN4O2/c1-2-24(13-14-26-11-4-10-23-26)21(28)18-7-8-20(27)25(16-18)12-9-17-5-3-6-19(22)15-17/h3-6,10-11,15,18H,2,7-9,12-14,16H2,1H3
InChIKeyXPISRYWPPQWHNG-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.35
Rot. Bonds8

About N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide

N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide (PubChem CID 24816994) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
PubChem CID24816994
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC NameN-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
SMILESCCN(CCn1cccn1)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C21H27FN4O2/c1-2-24(13-14-26-11-4-10-23-26)21(28)18-7-8-20(27)25(16-18)12-9-17-5-3-6-19(22)15-17/h3-6,10-11,15,18H,2,7-9,12-14,16H2,1H3
InChIKeyXPISRYWPPQWHNG-UHFFFAOYSA-N
XLogP2.35
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(1H-pyrazol-1-ylmethyl)-1,4-diazepan-2-one
CID 23646452
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine
CID 16189902
N-(2-fluorobenzyl)-3-{1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}propanamide
CID 16190899
N-(3,4-difluorobenzyl)-3-{1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]piperidin-3-yl}propanamide
CID 16191462
N-ethyl-2-[1-(4-fluorobenzyl)-3-oxo-2-piperazinyl]-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
CID 16191808
1-[3-[Methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 24790635
N-(4-isopropylphenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24793068
1-{1-[3-(1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 24817364
N-[4-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24817692
1-[(2-fluorophenyl)methyl]-6-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24819201
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24820100

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide (CID 24816994) is N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide is CCN(CCn1cccn1)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1.
What is the InChIKey of N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is XPISRYWPPQWHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-2-24(13-14-26-11-4-10-23-26)21(28)18-7-8-20(27)25(16-18)12-9-17-5-3-6-19(22)15-17/h3-6,10-11,15,18H,2,7-9,12-14,16H2,1H3.
What are the key properties of N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 2.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24816994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).