N-[4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]phenyl]acetamide

C19H26N6O — CID 134793355

IUPACN-[4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCn3c(nnc3C3CCNCC3)C2)cc1
InChIInChI=1S/C19H26N6O/c1-14(26)21-17-4-2-15(3-5-17)12-24-10-11-25-18(13-24)22-23-19(25)16-6-8-20-9-7-16/h2-5,16,20H,6-13H2,1H3,(H,21,26)
InChIKeyOLKQQDJXUFOTAB-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.72
Rot. Bonds4

About N-[4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]phenyl]acetamide

N-[4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]phenyl]acetamide (PubChem CID 134793355) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]phenyl]acetamide
PubChem CID134793355
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-[4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCn3c(nnc3C3CCNCC3)C2)cc1
InChIInChI=1S/C19H26N6O/c1-14(26)21-17-4-2-15(3-5-17)12-24-10-11-25-18(13-24)22-23-19(25)16-6-8-20-9-7-16/h2-5,16,20H,6-13H2,1H3,(H,21,26)
InChIKeyOLKQQDJXUFOTAB-UHFFFAOYSA-N
XLogP1.72
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]benzonitrile
CID 134790336
N-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide
CID 66203384
1-[(2R)-2-[7-[(4-chlorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]pyrrolidin-1-yl]ethanone
CID 92622788
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
N-[4-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 3793854
N-[4-[(3-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methyl]phenyl]acetamide
CID 160873477
N-[4-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 51137181
7-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 110262039
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide
CID 26458271
1-[3-[7-[(3-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]ethanone
CID 110262100
1-[(3S)-3-[7-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]ethanone
CID 92625292
N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 63596528

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]phenyl]acetamide (CID 134793355) is N-[4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCn3c(nnc3C3CCNCC3)C2)cc1.
What is the InChIKey of N-[4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]phenyl]acetamide?
The InChIKey is OLKQQDJXUFOTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-14(26)21-17-4-2-15(3-5-17)12-24-10-11-25-18(13-24)22-23-19(25)16-6-8-20-9-7-16/h2-5,16,20H,6-13H2,1H3,(H,21,26).
What are the key properties of N-[4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]phenyl]acetamide?
N-[4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]phenyl]acetamide has a molecular weight of 354.46 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 134793355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).