3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxamide

C26H29FN4O2 — CID 110232839

IUPAC3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxamide
SMILESCc1ccnn1CCC(=O)N1CCCC(Cc2cccc(-c3cccc(F)c3)c2)(C(N)=O)C1
InChIInChI=1S/C26H29FN4O2/c1-19-9-12-29-31(19)14-10-24(32)30-13-4-11-26(18-30,25(28)33)17-20-5-2-6-21(15-20)22-7-3-8-23(27)16-22/h2-3,5-9,12,15-16H,4,10-11,13-14,17-18H2,1H3,(H2,28,33)
InChIKeyBPLDHUPJZUECTF-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.72
Rot. Bonds7

About 3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxamide

3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxamide (PubChem CID 110232839) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxamide
PubChem CID110232839
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC Name3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxamide
SMILESCc1ccnn1CCC(=O)N1CCCC(Cc2cccc(-c3cccc(F)c3)c2)(C(N)=O)C1
InChIInChI=1S/C26H29FN4O2/c1-19-9-12-29-31(19)14-10-24(32)30-13-4-11-26(18-30,25(28)33)17-20-5-2-6-21(15-20)22-7-3-8-23(27)16-22/h2-3,5-9,12,15-16H,4,10-11,13-14,17-18H2,1H3,(H2,28,33)
InChIKeyBPLDHUPJZUECTF-UHFFFAOYSA-N
XLogP3.72
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxamide
CID 92562726
(3R)-N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide
CID 95851003
ethyl (3R)-3-[(4-fluorophenyl)methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxylate
CID 42463422
1-(cyclopentanecarbonyl)-3-[[3-(3-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide
CID 110232836
(3R)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide
CID 92569616
(3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide
CID 92569611
N-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 110243986
3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N,N-dimethylpiperidine-3-carboxamide
CID 110243976
(3S)-1-butanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92586379
3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110232823
(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3-[[3-(3-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 95851205
(3R)-N-ethyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 92592125

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of 3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxamide (CID 110232839) is 3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for 3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxamide is Cc1ccnn1CCC(=O)N1CCCC(Cc2cccc(-c3cccc(F)c3)c2)(C(N)=O)C1.
What is the InChIKey of 3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxamide?
The InChIKey is BPLDHUPJZUECTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-19-9-12-29-31(19)14-10-24(32)30-13-4-11-26(18-30,25(28)33)17-20-5-2-6-21(15-20)22-7-3-8-23(27)16-22/h2-3,5-9,12,15-16H,4,10-11,13-14,17-18H2,1H3,(H2,28,33).
What are the key properties of 3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxamide?
3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 110232839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).