N-[(4-fluorophenyl)methyl]-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide

C18H22FN5O2 — CID 71794794

IUPACN-[(4-fluorophenyl)methyl]-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCN(CCn2ncccc2=O)CC1
InChIInChI=1S/C18H22FN5O2/c19-16-5-3-15(4-6-16)14-20-18(26)23-11-8-22(9-12-23)10-13-24-17(25)2-1-7-21-24/h1-7H,8-14H2,(H,20,26)
InChIKeyUOPIQRJRMSZKSM-UHFFFAOYSA-N
MW359.40 g/mol
LogP0.91
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide

N-[(4-fluorophenyl)methyl]-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide (PubChem CID 71794794) has the molecular formula C18H22FN5O2 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide
PubChem CID71794794
Molecular FormulaC18H22FN5O2
Molecular Weight359.40 g/mol
Exact Mass359.18
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCN(CCn2ncccc2=O)CC1
InChIInChI=1S/C18H22FN5O2/c19-16-5-3-15(4-6-16)14-20-18(26)23-11-8-22(9-12-23)10-13-24-17(25)2-1-7-21-24/h1-7H,8-14H2,(H,20,26)
InChIKeyUOPIQRJRMSZKSM-UHFFFAOYSA-N
XLogP0.91
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide (CID 71794794) is N-[(4-fluorophenyl)methyl]-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCN(CCn2ncccc2=O)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is UOPIQRJRMSZKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c19-16-5-3-15(4-6-16)14-20-18(26)23-11-8-22(9-12-23)10-13-24-17(25)2-1-7-21-24/h1-7H,8-14H2,(H,20,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 71794794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).