1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-ylpiperidine-3-carboxamide

C22H29FN4O2 — CID 24790341

IUPAC1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N(Cc1cnn(C)c1)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C22H29FN4O2/c1-16(2)27(14-18-12-24-25(3)13-18)22(29)19-7-8-21(28)26(15-19)10-9-17-5-4-6-20(23)11-17/h4-6,11-13,16,19H,7-10,14-15H2,1-3H3
InChIKeyFUMLEVYYKBEBKN-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.78
Rot. Bonds7

About 1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-ylpiperidine-3-carboxamide

1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 24790341) has the molecular formula C22H29FN4O2 and a molecular weight of 400.50 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID24790341
Molecular FormulaC22H29FN4O2
Molecular Weight400.50 g/mol
Exact Mass400.23
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N(Cc1cnn(C)c1)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C22H29FN4O2/c1-16(2)27(14-18-12-24-25(3)13-18)22(29)19-7-8-21(28)26(15-19)10-9-17-5-4-6-20(23)11-17/h4-6,11-13,16,19H,7-10,14-15H2,1-3H3
InChIKeyFUMLEVYYKBEBKN-UHFFFAOYSA-N
XLogP2.78
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-[2-(3-fluorophenyl)ethyl]-6-keto-N-[2-(1H-pyrazol-4-yl)ethyl]nipecotamide
CID 24794338
N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24816994
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
N-(2-(4-((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl)piperazin-1-yl)-2-cyclohexylethyl)-N,1-diisopropyl-1H-pyrazole-4-carboxamide
CID 49862377

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-ylpiperidine-3-carboxamide (CID 24790341) is 1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-ylpiperidine-3-carboxamide is CC(C)N(Cc1cnn(C)c1)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is FUMLEVYYKBEBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O2/c1-16(2)27(14-18-12-24-25(3)13-18)22(29)19-7-8-21(28)26(15-19)10-9-17-5-4-6-20(23)11-17/h4-6,11-13,16,19H,7-10,14-15H2,1-3H3.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 24790341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).