N-[3-(3-fluorophenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide

C26H31FN4O — CID 24816646

IUPACN-[3-(3-fluorophenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCCn1ncc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c1C
InChIInChI=1S/C26H31FN4O/c1-3-12-31-19(2)23(17-28-31)18-30-13-10-20(11-14-30)26(32)29-25-9-5-7-22(16-25)21-6-4-8-24(27)15-21/h4-9,15-17,20H,3,10-14,18H2,1-2H3,(H,29,32)
InChIKeyHILYPTQJNFXLCJ-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.26
Rot. Bonds7

About N-[3-(3-fluorophenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide

N-[3-(3-fluorophenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 24816646) has the molecular formula C26H31FN4O and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID24816646
Molecular FormulaC26H31FN4O
Molecular Weight434.56 g/mol
Exact Mass434.25
IUPAC NameN-[3-(3-fluorophenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCCn1ncc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c1C
InChIInChI=1S/C26H31FN4O/c1-3-12-31-19(2)23(17-28-31)18-30-13-10-20(11-14-30)26(32)29-25-9-5-7-22(16-25)21-6-4-8-24(27)15-21/h4-9,15-17,20H,3,10-14,18H2,1-2H3,(H,29,32)
InChIKeyHILYPTQJNFXLCJ-UHFFFAOYSA-N
XLogP5.26
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(3-fluorophenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 24816646) is N-[3-(3-fluorophenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(3-fluorophenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide is CCCn1ncc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c1C.
What is the InChIKey of N-[3-(3-fluorophenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is HILYPTQJNFXLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O/c1-3-12-31-19(2)23(17-28-31)18-30-13-10-20(11-14-30)26(32)29-25-9-5-7-22(16-25)21-6-4-8-24(27)15-21/h4-9,15-17,20H,3,10-14,18H2,1-2H3,(H,29,32).
What are the key properties of N-[3-(3-fluorophenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
N-[3-(3-fluorophenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 24816646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).