N-(4-fluorophenyl)-4-pyridin-4-ylpiperazine-1-carboxamide

C16H17FN4O — CID 2812651

IUPACN-(4-fluorophenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C16H17FN4O/c17-13-1-3-14(4-2-13)19-16(22)21-11-9-20(10-12-21)15-5-7-18-8-6-15/h1-8H,9-12H2,(H,19,22)
InChIKeyCQAVOTBCFMRONG-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.57
Rot. Bonds2

About N-(4-fluorophenyl)-4-pyridin-4-ylpiperazine-1-carboxamide

N-(4-fluorophenyl)-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 2812651) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID2812651
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC NameN-(4-fluorophenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C16H17FN4O/c17-13-1-3-14(4-2-13)19-16(22)21-11-9-20(10-12-21)15-5-7-18-8-6-15/h1-8H,9-12H2,(H,19,22)
InChIKeyCQAVOTBCFMRONG-UHFFFAOYSA-N
XLogP2.57
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-pyridin-4-ylpiperazine-1-carboxamide (CID 2812651) is N-(4-fluorophenyl)-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-pyridin-4-ylpiperazine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is CQAVOTBCFMRONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-13-1-3-14(4-2-13)19-16(22)21-11-9-20(10-12-21)15-5-7-18-8-6-15/h1-8H,9-12H2,(H,19,22).
What are the key properties of N-(4-fluorophenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
N-(4-fluorophenyl)-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 2812651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).