N-[4-(3-fluorophenyl)phenyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxamide

C23H23FN4O2 — CID 45170174

IUPACN-[4-(3-fluorophenyl)phenyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxamide
SMILESCn1nccc1C(=O)N1CCCC(C(=O)Nc2ccc(-c3cccc(F)c3)cc2)C1
InChIInChI=1S/C23H23FN4O2/c1-27-21(11-12-25-27)23(30)28-13-3-5-18(15-28)22(29)26-20-9-7-16(8-10-20)17-4-2-6-19(24)14-17/h2,4,6-12,14,18H,3,5,13,15H2,1H3,(H,26,29)
InChIKeyBDHYTROHWBBMNS-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.72
Rot. Bonds4

About N-[4-(3-fluorophenyl)phenyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxamide

N-[4-(3-fluorophenyl)phenyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxamide (PubChem CID 45170174) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)phenyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)phenyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxamide
PubChem CID45170174
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC NameN-[4-(3-fluorophenyl)phenyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxamide
SMILESCn1nccc1C(=O)N1CCCC(C(=O)Nc2ccc(-c3cccc(F)c3)cc2)C1
InChIInChI=1S/C23H23FN4O2/c1-27-21(11-12-25-27)23(30)28-13-3-5-18(15-28)22(29)26-20-9-7-16(8-10-20)17-4-2-6-19(24)14-17/h2,4,6-12,14,18H,3,5,13,15H2,1H3,(H,26,29)
InChIKeyBDHYTROHWBBMNS-UHFFFAOYSA-N
XLogP3.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)phenyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-(3-fluorophenyl)phenyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxamide (CID 45170174) is N-[4-(3-fluorophenyl)phenyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)phenyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-(3-fluorophenyl)phenyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxamide is Cn1nccc1C(=O)N1CCCC(C(=O)Nc2ccc(-c3cccc(F)c3)cc2)C1.
What is the InChIKey of N-[4-(3-fluorophenyl)phenyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is BDHYTROHWBBMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-27-21(11-12-25-27)23(30)28-13-3-5-18(15-28)22(29)26-20-9-7-16(8-10-20)17-4-2-6-19(24)14-17/h2,4,6-12,14,18H,3,5,13,15H2,1H3,(H,26,29).
What are the key properties of N-[4-(3-fluorophenyl)phenyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxamide?
N-[4-(3-fluorophenyl)phenyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)phenyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 45170174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).