N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide

C19H29N5O2 — CID 22514484

IUPACN-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCCC1CCCCN1CCCNC(=O)Cn1nc(C)n2cccc2c1=O
InChIInChI=1S/C19H29N5O2/c1-3-16-8-4-5-11-22(16)12-7-10-20-18(25)14-24-19(26)17-9-6-13-23(17)15(2)21-24/h6,9,13,16H,3-5,7-8,10-12,14H2,1-2H3,(H,20,25)
InChIKeyBLIIJCNERCYPSJ-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.58
Rot. Bonds7

About N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide

N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (PubChem CID 22514484) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
PubChem CID22514484
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCCC1CCCCN1CCCNC(=O)Cn1nc(C)n2cccc2c1=O
InChIInChI=1S/C19H29N5O2/c1-3-16-8-4-5-11-22(16)12-7-10-20-18(25)14-24-19(26)17-9-6-13-23(17)15(2)21-24/h6,9,13,16H,3-5,7-8,10-12,14H2,1-2H3,(H,20,25)
InChIKeyBLIIJCNERCYPSJ-UHFFFAOYSA-N
XLogP1.58
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acetamide
CID 22514494
2-(2-benzoylpyrrol-1-yl)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 20889255
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125053056
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 133209869
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 100516526
2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid
CID 6625489
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide
CID 133202306
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 133200145
N-[3-(2-ethylpiperidin-1-yl)propyl]cyclopentanecarboxamide
CID 133199610
N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
CID 133167577
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide
CID 100629368
3-(3,4-dichlorophenyl)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 100596826

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (CID 22514484) is N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is CCC1CCCCN1CCCNC(=O)Cn1nc(C)n2cccc2c1=O.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The InChIKey is BLIIJCNERCYPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-3-16-8-4-5-11-22(16)12-7-10-20-18(25)14-24-19(26)17-9-6-13-23(17)15(2)21-24/h6,9,13,16H,3-5,7-8,10-12,14H2,1-2H3,(H,20,25).
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide has a molecular weight of 359.47 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is sourced from PubChem (CID 22514484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).