1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide

C24H27FN4O — CID 24794062

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)cn1
InChIInChI=1S/C24H27FN4O/c1-2-29-17-18(15-26-29)16-28-11-9-19(10-12-28)24(30)27-23-8-4-6-21(14-23)20-5-3-7-22(25)13-20/h3-8,13-15,17,19H,2,9-12,16H2,1H3,(H,27,30)
InChIKeyHLAAXYCXRJYROB-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.56
Rot. Bonds6

About 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide

1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide (PubChem CID 24794062) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide
PubChem CID24794062
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)cn1
InChIInChI=1S/C24H27FN4O/c1-2-29-17-18(15-26-29)16-28-11-9-19(10-12-28)24(30)27-23-8-4-6-21(14-23)20-5-3-7-22(25)13-20/h3-8,13-15,17,19H,2,9-12,16H2,1H3,(H,27,30)
InChIKeyHLAAXYCXRJYROB-UHFFFAOYSA-N
XLogP4.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide (CID 24794062) is 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide is CCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide?
The InChIKey is HLAAXYCXRJYROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O/c1-2-29-17-18(15-26-29)16-28-11-9-19(10-12-28)24(30)27-23-8-4-6-21(14-23)20-5-3-7-22(25)13-20/h3-8,13-15,17,19H,2,9-12,16H2,1H3,(H,27,30).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide?
1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 24794062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).