N-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide

C16H16F2N4O — CID 803879

IUPACN-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H16F2N4O/c17-12-4-5-14(13(18)11-12)20-16(23)22-9-7-21(8-10-22)15-3-1-2-6-19-15/h1-6,11H,7-10H2,(H,20,23)
InChIKeyZZRUXZJZXIMFJZ-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.71
Rot. Bonds2

About N-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide

N-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 803879) has the molecular formula C16H16F2N4O and a molecular weight of 318.33 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID803879
Molecular FormulaC16H16F2N4O
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC NameN-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H16F2N4O/c17-12-4-5-14(13(18)11-12)20-16(23)22-9-7-21(8-10-22)15-3-1-2-6-19-15/h1-6,11H,7-10H2,(H,20,23)
InChIKeyZZRUXZJZXIMFJZ-UHFFFAOYSA-N
XLogP2.71
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide (CID 803879) is N-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide is O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is ZZRUXZJZXIMFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O/c17-12-4-5-14(13(18)11-12)20-16(23)22-9-7-21(8-10-22)15-3-1-2-6-19-15/h1-6,11H,7-10H2,(H,20,23).
What are the key properties of N-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
N-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 803879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).