N-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide

C24H32FN9O — CID 118473808

IUPACN-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2nncc(-c3ccc(F)cc3)n2)CC1)NC1CCN(CC2=NCCN2)CC1
InChIInChI=1S/C24H32FN9O/c25-19-3-1-18(2-4-19)21-15-28-31-24(30-21)34-13-11-33(12-14-34)17-23(35)29-20-5-9-32(10-6-20)16-22-26-7-8-27-22/h1-4,15,20H,5-14,16-17H2,(H,26,27)(H,29,35)
InChIKeyKCJYNCOZFVZXTB-UHFFFAOYSA-N
MW481.58 g/mol
LogP0.38
Rot. Bonds7

About N-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide

N-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide (PubChem CID 118473808) has the molecular formula C24H32FN9O and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
PubChem CID118473808
Molecular FormulaC24H32FN9O
Molecular Weight481.58 g/mol
Exact Mass481.27
IUPAC NameN-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2nncc(-c3ccc(F)cc3)n2)CC1)NC1CCN(CC2=NCCN2)CC1
InChIInChI=1S/C24H32FN9O/c25-19-3-1-18(2-4-19)21-15-28-31-24(30-21)34-13-11-33(12-14-34)17-23(35)29-20-5-9-32(10-6-20)16-22-26-7-8-27-22/h1-4,15,20H,5-14,16-17H2,(H,26,27)(H,29,35)
InChIKeyKCJYNCOZFVZXTB-UHFFFAOYSA-N
XLogP0.38
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide (CID 118473808) is N-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide is O=C(CN1CCN(c2nncc(-c3ccc(F)cc3)n2)CC1)NC1CCN(CC2=NCCN2)CC1.
What is the InChIKey of N-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
The InChIKey is KCJYNCOZFVZXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN9O/c25-19-3-1-18(2-4-19)21-15-28-31-24(30-21)34-13-11-33(12-14-34)17-23(35)29-20-5-9-32(10-6-20)16-22-26-7-8-27-22/h1-4,15,20H,5-14,16-17H2,(H,26,27)(H,29,35).
What are the key properties of N-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
N-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide has a molecular weight of 481.58 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 118473808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).